7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine

C10H7Cl2N7O — CID 130365922

IUPAC7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(OCc2cc(Cl)nc(Cl)c2)c2n[nH]nc2n1
InChIInChI=1S/C10H7Cl2N7O/c11-5-1-4(2-6(12)14-5)3-20-9-7-8(18-19-17-7)15-10(13)16-9/h1-2H,3H2,(H3,13,15,16,17,18,19)
InChIKeyZQDCMCQZBIUPHV-UHFFFAOYSA-N
MW312.12 g/mol
LogP1.61
Rot. Bonds3

About 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine

7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 130365922) has the molecular formula C10H7Cl2N7O and a molecular weight of 312.12 g/mol. Its IUPAC name is 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
PubChem CID130365922
Molecular FormulaC10H7Cl2N7O
Molecular Weight312.12 g/mol
Exact Mass311.01
IUPAC Name7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(OCc2cc(Cl)nc(Cl)c2)c2n[nH]nc2n1
InChIInChI=1S/C10H7Cl2N7O/c11-5-1-4(2-6(12)14-5)3-20-9-7-8(18-19-17-7)15-10(13)16-9/h1-2H,3H2,(H3,13,15,16,17,18,19)
InChIKeyZQDCMCQZBIUPHV-UHFFFAOYSA-N
XLogP1.61
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-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-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine (CID 130365922) is 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine is Nc1nc(OCc2cc(Cl)nc(Cl)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is ZQDCMCQZBIUPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N7O/c11-5-1-4(2-6(12)14-5)3-20-9-7-8(18-19-17-7)15-10(13)16-9/h1-2H,3H2,(H3,13,15,16,17,18,19).
What are the key properties of 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine?
7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 312.12 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 130365922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).