1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol

C20H25N7O2 — CID 56593683

IUPAC1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol
SMILESNc1nc(Nc2ccc(C(O)CCN3CCOCC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C20H25N7O2/c21-19-24-20(25-27(19)18-3-1-2-9-22-18)23-16-6-4-15(5-7-16)17(28)8-10-26-11-13-29-14-12-26/h1-7,9,17,28H,8,10-14H2,(H3,21,23,24,25)
InChIKeyFAPAAUAYWYGJCZ-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.74
Rot. Bonds7

About 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol

1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol (PubChem CID 56593683) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol
PubChem CID56593683
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol
SMILESNc1nc(Nc2ccc(C(O)CCN3CCOCC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C20H25N7O2/c21-19-24-20(25-27(19)18-3-1-2-9-22-18)23-16-6-4-15(5-7-16)17(28)8-10-26-11-13-29-14-12-26/h1-7,9,17,28H,8,10-14H2,(H3,21,23,24,25)
InChIKeyFAPAAUAYWYGJCZ-UHFFFAOYSA-N
XLogP1.74
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-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-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol?
The IUPAC name of 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol (CID 56593683) is 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol is Nc1nc(Nc2ccc(C(O)CCN3CCOCC3)cc2)nn1-c1ccccn1.
What is the InChIKey of 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol?
The InChIKey is FAPAAUAYWYGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c21-19-24-20(25-27(19)18-3-1-2-9-22-18)23-16-6-4-15(5-7-16)17(28)8-10-26-11-13-29-14-12-26/h1-7,9,17,28H,8,10-14H2,(H3,21,23,24,25).
What are the key properties of 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol?
1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol has a molecular weight of 395.47 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-3-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 56593683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).