6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C16H24N8 — CID 95726265

IUPAC6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncnc1[C@@H](C)Nc1nc(C(C)(C)C)nc2c1cnn2C
InChIInChI=1S/C16H24N8/c1-7-24-13(17-9-19-24)10(2)20-12-11-8-18-23(6)14(11)22-15(21-12)16(3,4)5/h8-10H,7H2,1-6H3,(H,20,21,22)/t10-/m1/s1
InChIKeyXYLSIADOQIYSOB-SNVBAGLBSA-N
MW328.42 g/mol
LogP2.45
Rot. Bonds4

About 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95726265) has the molecular formula C16H24N8 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95726265
Molecular FormulaC16H24N8
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC Name6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncnc1[C@@H](C)Nc1nc(C(C)(C)C)nc2c1cnn2C
InChIInChI=1S/C16H24N8/c1-7-24-13(17-9-19-24)10(2)20-12-11-8-18-23(6)14(11)22-15(21-12)16(3,4)5/h8-10H,7H2,1-6H3,(H,20,21,22)/t10-/m1/s1
InChIKeyXYLSIADOQIYSOB-SNVBAGLBSA-N
XLogP2.45
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56902389
6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56894827
(1S)-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 95728731
2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
CID 95120809
2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 56885919
6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56886002
6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56899150
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115681142
6-tert-butyl-1-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95722949
1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134587658
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56882046
1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95726265) is 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCn1ncnc1[C@@H](C)Nc1nc(C(C)(C)C)nc2c1cnn2C.
What is the InChIKey of 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XYLSIADOQIYSOB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H24N8/c1-7-24-13(17-9-19-24)10(2)20-12-11-8-18-23(6)14(11)22-15(21-12)16(3,4)5/h8-10H,7H2,1-6H3,(H,20,21,22)/t10-/m1/s1.
What are the key properties of 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95726265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).