7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C11H9ClN6O — CID 118949715

IUPAC7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cnccc2Cl)c2n[nH]nc2n1
InChIInChI=1S/C11H9ClN6O/c12-7-1-2-14-4-6(7)5-19-8-3-9(13)15-11-10(8)16-18-17-11/h1-4H,5H2,(H3,13,15,16,17,18)
InChIKeyHLSNPGGTLKKLGX-UHFFFAOYSA-N
MW276.69 g/mol
LogP1.56
Rot. Bonds3

About 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118949715) has the molecular formula C11H9ClN6O and a molecular weight of 276.69 g/mol. Its IUPAC name is 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118949715
Molecular FormulaC11H9ClN6O
Molecular Weight276.69 g/mol
Exact Mass276.05
IUPAC Name7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cnccc2Cl)c2n[nH]nc2n1
InChIInChI=1S/C11H9ClN6O/c12-7-1-2-14-4-6(7)5-19-8-3-9(13)15-11-10(8)16-18-17-11/h1-4H,5H2,(H3,13,15,16,17,18)
InChIKeyHLSNPGGTLKKLGX-UHFFFAOYSA-N
XLogP1.56
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine 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 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118949715) is 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cnccc2Cl)c2n[nH]nc2n1.
What is the InChIKey of 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is HLSNPGGTLKKLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O/c12-7-1-2-14-4-6(7)5-19-8-3-9(13)15-11-10(8)16-18-17-11/h1-4H,5H2,(H3,13,15,16,17,18).
What are the key properties of 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 276.69 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloro-3-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118949715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).