1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol

C10H11ClFN5O — CID 146104889

IUPAC1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol
SMILESOC(CNc1c(F)cncc1Cl)Cn1ccnn1
InChIInChI=1S/C10H11ClFN5O/c11-8-4-13-5-9(12)10(8)14-3-7(18)6-17-2-1-15-16-17/h1-2,4-5,7,18H,3,6H2,(H,13,14)
InChIKeyJAGLQXGGEJYLFV-UHFFFAOYSA-N
MW271.68 g/mol
LogP0.94
Rot. Bonds5

About 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol

1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol (PubChem CID 146104889) has the molecular formula C10H11ClFN5O and a molecular weight of 271.68 g/mol. Its IUPAC name is 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol
PubChem CID146104889
Molecular FormulaC10H11ClFN5O
Molecular Weight271.68 g/mol
Exact Mass271.06
IUPAC Name1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol
SMILESOC(CNc1c(F)cncc1Cl)Cn1ccnn1
InChIInChI=1S/C10H11ClFN5O/c11-8-4-13-5-9(12)10(8)14-3-7(18)6-17-2-1-15-16-17/h1-2,4-5,7,18H,3,6H2,(H,13,14)
InChIKeyJAGLQXGGEJYLFV-UHFFFAOYSA-N
XLogP0.94
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-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-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol?
The IUPAC name of 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol (CID 146104889) is 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol is OC(CNc1c(F)cncc1Cl)Cn1ccnn1.
What is the InChIKey of 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol?
The InChIKey is JAGLQXGGEJYLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5O/c11-8-4-13-5-9(12)10(8)14-3-7(18)6-17-2-1-15-16-17/h1-2,4-5,7,18H,3,6H2,(H,13,14).
What are the key properties of 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol?
1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol has a molecular weight of 271.68 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-fluoro-4-pyridinyl)amino]-3-(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 146104889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).