N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C16H22N8 — CID 70751994

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCc3nncn3C3CCCCC3)c12
InChIInChI=1S/C16H22N8/c1-11-14-15(18-9-19-16(14)23(2)22-11)17-8-13-21-20-10-24(13)12-6-4-3-5-7-12/h9-10,12H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyRRFRCWSWWDZNNE-UHFFFAOYSA-N
MW326.41 g/mol
LogP2.38
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70751994) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70751994
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCc3nncn3C3CCCCC3)c12
InChIInChI=1S/C16H22N8/c1-11-14-15(18-9-19-16(14)23(2)22-11)17-8-13-21-20-10-24(13)12-6-4-3-5-7-12/h9-10,12H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyRRFRCWSWWDZNNE-UHFFFAOYSA-N
XLogP2.38
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56899469
N-[(1-isobutyl-3-pyrrolidinyl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56906371
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70705673
N-[1-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70707695
N,1,3,6-tetramethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70751078
N-methyl-1-(9H-purin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
CID 72921028
1,3-dimethyl-N-(1H-tetrazol-5-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899250
N,N-diethyl-N'-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,2-ethanediamine
CID 70716744
1-cyclopentyl-3-[3-[3-(dimethylamino)piperidin-1-yl]prop-1-ynyl]-N-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 172448985
1-(Cyclopentylmethyl)-3-[3-(4-methylpiperidin-1-yl)prop-1-ynyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 172456449
N-tert-butyl-1-cyclohexyl-3-[3-[3-(dimethylamino)pyrrolidin-1-yl]prop-1-ynyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 172460914
1-cyclohexyl-3-[3-[3-(dimethylamino)piperidin-1-yl]prop-1-ynyl]-N-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 172468061

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70751994) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(NCc3nncn3C3CCCCC3)c12.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RRFRCWSWWDZNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8/c1-11-14-15(18-9-19-16(14)23(2)22-11)17-8-13-21-20-10-24(13)12-6-4-3-5-7-12/h9-10,12H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 326.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70751994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).