5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

C14H18N8 — CID 70695149

IUPAC5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1cc(Cn2nnc3c(N)nc(C4CC4)nc32)cn1
InChIInChI=1S/C14H18N8/c1-8(2)21-6-9(5-16-21)7-22-14-11(19-20-22)12(15)17-13(18-14)10-3-4-10/h5-6,8,10H,3-4,7H2,1-2H3,(H2,15,17,18)
InChIKeyJZUBXNWAHKLLRC-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.51
Rot. Bonds4

About 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70695149) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70695149
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1cc(Cn2nnc3c(N)nc(C4CC4)nc32)cn1
InChIInChI=1S/C14H18N8/c1-8(2)21-6-9(5-16-21)7-22-14-11(19-20-22)12(15)17-13(18-14)10-3-4-10/h5-6,8,10H,3-4,7H2,1-2H3,(H2,15,17,18)
InChIKeyJZUBXNWAHKLLRC-UHFFFAOYSA-N
XLogP1.51
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-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

Related Compounds

ST-1535
CID 9860294
9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9877796
9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9814428
2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9856035
2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11673316
2-[2-(2-Cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 165415038
5,8-Dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 165415248
5,8-dimethyl-2-[2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 165415313
9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11608581
5-Cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70686818
5-cyclopropyl-3-[[(3R)-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70690957
6-N-butyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 162645290

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70695149) is 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is CC(C)n1cc(Cn2nnc3c(N)nc(C4CC4)nc32)cn1.
What is the InChIKey of 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is JZUBXNWAHKLLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-8(2)21-6-9(5-16-21)7-22-14-11(19-20-22)12(15)17-13(18-14)10-3-4-10/h5-6,8,10H,3-4,7H2,1-2H3,(H2,15,17,18).
What are the key properties of 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 298.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70695149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).