1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea

C112H128N34O12 — CID 158016345

About 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea

1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea (PubChem CID 158016345) has the molecular formula C112H128N34O12 and a molecular weight of 2142.48 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea
• PubChem CID: 158016345
• Molecular Formula: C112H128N34O12
• Molecular Weight: 2142.48 g/mol
• Exact Mass: 2141.05
• IUPAC Name: 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea
• SMILES: C=C(C)c1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4cccnc4)cc3)nn12.N#CCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCCN1CCOCC1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCN1CCOCC1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)NC1CC1
• InChI: InChI=1S/C25H25N7O2.C24H31N7O3.C23H29N7O3.C20H21N7O2.C20H22N6O2/c1-17(2)21-9-10-22-24(31-12-14-34-15-13-31)29-23(30-32(21)22)18-5-7-19(8-6-18)27-25(33)28-20-4-3-11-26-16-20;32-24(25-8-2-9-29-11-15-33-16-12-29)26-20-6-4-19(5-7-20)22-27-23(30-13-17-34-18-14-30)21-3-1-10-31(21)28-22;31-23(24-7-9-28-10-14-32-15-11-28)25-19-5-3-18(4-6-19)21-26-22(29-12-16-33-17-13-29)20-2-1-8-30(20)27-21;21-8-2-9-22-20(28)23-16-6-4-15(5-7-16)18-24-19(26-11-13-29-14-12-26)17-3-1-10-27(17)25-18;27-20(22-16-7-8-16)21-15-5-3-14(4-6-15)18-23-19(25-10-12-28-13-11-25)17-2-1-9-26(17)24-18/h3-11,16H,1,12-15H2,2H3,(H2,27,28,33);1,3-7,10H,2,8-9,11-18H2,(H2,25,26,32);1-6,8H,7,9-17H2,(H2,24,25,31);1,3-7,10H,2,9,11-14H2,(H2,22,23,28);1-6,9,16H,7-8,10-13H2,(H2,21,22,27)
• InChIKey: FFMZLSYFRMMKGF-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 480.57 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.48
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea?

The IUPAC name of 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea (CID 158016345) is 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea.

What is the SMILES notation for 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea?

The canonical SMILES for 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea is C=C(C)c1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4cccnc4)cc3)nn12.N#CCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCCN1CCOCC1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCN1CCOCC1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)NC1CC1.

What is the InChIKey of 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea?

The InChIKey is FFMZLSYFRMMKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2.C24H31N7O3.C23H29N7O3.C20H21N7O2.C20H22N6O2/c1-17(2)21-9-10-22-24(31-12-14-34-15-13-31)29-23(30-32(21)22)18-5-7-19(8-6-18)27-25(33)28-20-4-3-11-26-16-20;32-24(25-8-2-9-29-11-15-33-16-12-29)26-20-6-4-19(5-7-20)22-27-23(30-13-17-34-18-14-30)21-3-1-10-31(21)28-22;31-23(24-7-9-28-10-14-32-15-11-28)25-19-5-3-18(4-6-19)21-26-22(29-12-16-33-17-13-29)20-2-1-8-30(20)27-21;21-8-2-9-22-20(28)23-16-6-4-15(5-7-16)18-24-19(26-11-13-29-14-12-26)17-3-1-10-27(17)25-18;27-20(22-16-7-8-16)21-15-5-3-14(4-6-15)18-23-19(25-10-12-28-13-11-25)17-2-1-9-26(17)24-18/h3-11,16H,1,12-15H2,2H3,(H2,27,28,33);1,3-7,10H,2,8-9,11-18H2,(H2,25,26,32);1-6,8H,7,9-17H2,(H2,24,25,31);1,3-7,10H,2,9,11-14H2,(H2,22,23,28);1-6,9,16H,7-8,10-13H2,(H2,21,22,27).

What are the key properties of 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea?

1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea has a molecular weight of 2142.48 g/mol, XLogP of 12.85, 27 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylurea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea is sourced from PubChem (CID 158016345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).