3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one

C15H20N8O — CID 167925262

IUPAC3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESCC(C)(C)n1ncc2c(NCc3n[nH]c(=O)n3C3CC3)ncnc21
InChIInChI=1S/C15H20N8O/c1-15(2,3)23-13-10(6-19-23)12(17-8-18-13)16-7-11-20-21-14(24)22(11)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,21,24)(H,16,17,18)
InChIKeySZAUMXZHGGDKBI-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.41
Rot. Bonds4

About 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one

3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one (PubChem CID 167925262) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
PubChem CID167925262
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESCC(C)(C)n1ncc2c(NCc3n[nH]c(=O)n3C3CC3)ncnc21
InChIInChI=1S/C15H20N8O/c1-15(2,3)23-13-10(6-19-23)12(17-8-18-13)16-7-11-20-21-14(24)22(11)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,21,24)(H,16,17,18)
InChIKeySZAUMXZHGGDKBI-UHFFFAOYSA-N
XLogP1.41
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133480522
1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 138008326
1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 75470437
1-tert-butyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 166249640
3-[3-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 128998768
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133440412
(2R)-2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 122050626
N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133473317
1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135876286
1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167951902
1-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-3-[(1R,6R)-6-methylcyclohex-3-en-1-yl]urea
CID 138051692
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205340

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one (CID 167925262) is 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one is CC(C)(C)n1ncc2c(NCc3n[nH]c(=O)n3C3CC3)ncnc21.
What is the InChIKey of 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The InChIKey is SZAUMXZHGGDKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-15(2,3)23-13-10(6-19-23)12(17-8-18-13)16-7-11-20-21-14(24)22(11)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,21,24)(H,16,17,18).
What are the key properties of 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one?
3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one has a molecular weight of 328.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 167925262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).