3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine

C15H20N8 — CID 70682583

IUPAC3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(Cn2nnc3c(N)nc(C4CC4)nc32)[nH]n1
InChIInChI=1S/C15H20N8/c1-15(2,3)10-6-9(19-20-10)7-23-14-11(21-22-23)12(16)17-13(18-14)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyTXWSWEXDBVALFR-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.75
Rot. Bonds3

About 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine

3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70682583) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID70682583
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(Cn2nnc3c(N)nc(C4CC4)nc32)[nH]n1
InChIInChI=1S/C15H20N8/c1-15(2,3)10-6-9(19-20-10)7-23-14-11(21-22-23)12(16)17-13(18-14)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyTXWSWEXDBVALFR-UHFFFAOYSA-N
XLogP1.75
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine with MolForge

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Related Compounds

5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70684644
9-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-9H-purin-2-amine
CID 25115965
US11214565, Example C-34
CID 140943387
US11214565, Example C-33
CID 140943552
3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110257040
US11214565, Example C-37
CID 140943365
N-fluoro-5-(1-methylcyclopropyl)-2-(5-propan-2-yl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-1-amine
CID 145547554
6-tert-butyl-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56886523
2-(5-tert-butyl-1H-pyrazol-3-yl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine
CID 16414954
8-(difluoromethyl)-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-7H-purin-6-amine
CID 167823319
6-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-7H-purine
CID 50974159
2-(5-cyclopropyl-1H-pyrazol-3-yl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine
CID 16415382

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine (CID 70682583) is 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine is CC(C)(C)c1cc(Cn2nnc3c(N)nc(C4CC4)nc32)[nH]n1.
What is the InChIKey of 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is TXWSWEXDBVALFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-15(2,3)10-6-9(19-20-10)7-23-14-11(21-22-23)12(16)17-13(18-14)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,19,20)(H2,16,17,18).
What are the key properties of 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 312.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70682583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).