1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol

C16H21N7O — CID 67318282

IUPAC1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol
SMILESCCC(O)CNc1nc(Nc2cc(C3CC3)[nH]n2)nn2cccc12
InChIInChI=1S/C16H21N7O/c1-2-11(24)9-17-15-13-4-3-7-23(13)22-16(19-15)18-14-8-12(20-21-14)10-5-6-10/h3-4,7-8,10-11,24H,2,5-6,9H2,1H3,(H3,17,18,19,20,21,22)
InChIKeyRBVIRCXHBAWEKB-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.26
Rot. Bonds7

About 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol

1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol (PubChem CID 67318282) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol
PubChem CID67318282
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol
SMILESCCC(O)CNc1nc(Nc2cc(C3CC3)[nH]n2)nn2cccc12
InChIInChI=1S/C16H21N7O/c1-2-11(24)9-17-15-13-4-3-7-23(13)22-16(19-15)18-14-8-12(20-21-14)10-5-6-10/h3-4,7-8,10-11,24H,2,5-6,9H2,1H3,(H3,17,18,19,20,21,22)
InChIKeyRBVIRCXHBAWEKB-UHFFFAOYSA-N
XLogP2.26
TPSA103.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol?
The IUPAC name of 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol (CID 67318282) is 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol?
The canonical SMILES for 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol is CCC(O)CNc1nc(Nc2cc(C3CC3)[nH]n2)nn2cccc12.
What is the InChIKey of 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol?
The InChIKey is RBVIRCXHBAWEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-2-11(24)9-17-15-13-4-3-7-23(13)22-16(19-15)18-14-8-12(20-21-14)10-5-6-10/h3-4,7-8,10-11,24H,2,5-6,9H2,1H3,(H3,17,18,19,20,21,22).
What are the key properties of 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol?
1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol has a molecular weight of 327.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 67318282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).