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

C15H15N9 — CID 70697222

IUPAC5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc2n1
InChIInChI=1S/C15H15N9/c1-8-4-5-23-6-10(18-15(23)17-8)7-24-14-11(21-22-24)12(16)19-13(20-14)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,16,19,20)
InChIKeyKXAHQWGAPXHFGG-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.08
Rot. Bonds3

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

5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70697222) has the molecular formula C15H15N9 and a molecular weight of 321.35 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70697222
Molecular FormulaC15H15N9
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc2n1
InChIInChI=1S/C15H15N9/c1-8-4-5-23-6-10(18-15(23)17-8)7-24-14-11(21-22-24)12(16)19-13(20-14)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,16,19,20)
InChIKeyKXAHQWGAPXHFGG-UHFFFAOYSA-N
XLogP1.08
TPSA112.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-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

5-(1-Methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyrimidin-5-ylmethyl)triazolo[4,5-b]pyrazine
CID 68288074
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
5-Cyclopropyl-3-[[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70690967
6-N-[(2-ethylpyrazol-3-yl)methyl]-6-N,8,9-trimethylpurine-2,6-diamine
CID 52422232
6-N-[(2-ethylpyrazol-3-yl)methyl]-8,9-dimethylpurine-2,6-diamine
CID 52422233
6-N,8,9-trimethyl-6-N-[(2-methylpyrazol-3-yl)methyl]purine-2,6-diamine
CID 52422234
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317
2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193829
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56892306
N,2,5-trimethyl-N-(2-pyrazinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56913065
1-{Pyrazolo[1,5-a]pyrazin-4-yl}-4-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1,4-diazepane
CID 132450730

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70697222) is 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is Cc1ccn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc2n1.
What is the InChIKey of 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KXAHQWGAPXHFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9/c1-8-4-5-23-6-10(18-15(23)17-8)7-24-14-11(21-22-24)12(16)19-13(20-14)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H2,16,19,20).
What are the key properties of 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 321.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70697222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).