5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

C14H16N8 — CID 70684644

IUPAC5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C14H16N8/c15-12-11-14(17-13(16-12)8-3-4-8)22(21-20-11)6-9-5-10(19-18-9)7-1-2-7/h5,7-8H,1-4,6H2,(H,18,19)(H2,15,16,17)
InChIKeyCPGKVMSLFHRYJJ-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.33
Rot. Bonds4

About 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70684644) has the molecular formula C14H16N8 and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70684644
Molecular FormulaC14H16N8
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C14H16N8/c15-12-11-14(17-13(16-12)8-3-4-8)22(21-20-11)6-9-5-10(19-18-9)7-1-2-7/h5,7-8H,1-4,6H2,(H,18,19)(H2,15,16,17)
InChIKeyCPGKVMSLFHRYJJ-UHFFFAOYSA-N
XLogP1.33
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-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 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70684644) is 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C2CC2)nc2c1nnn2Cc1cc(C2CC2)n[nH]1.
What is the InChIKey of 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is CPGKVMSLFHRYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8/c15-12-11-14(17-13(16-12)8-3-4-8)22(21-20-11)6-9-5-10(19-18-9)7-1-2-7/h5,7-8H,1-4,6H2,(H,18,19)(H2,15,16,17).
What are the key properties of 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 296.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70684644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).