[1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine

C14H19N9 — CID 95215759

IUPAC[1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(C[C@@H]2CCCN(c3ncnc4nc[nH]c34)C2)nn1
InChIInChI=1S/C14H19N9/c15-4-11-7-23(21-20-11)6-10-2-1-3-22(5-10)14-12-13(17-8-16-12)18-9-19-14/h7-10H,1-6,15H2,(H,16,17,18,19)/t10-/m1/s1
InChIKeyQHRTUDUPFHGPGH-SNVBAGLBSA-N
MW313.37 g/mol
LogP0.32
Rot. Bonds4

About [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine

[1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine (PubChem CID 95215759) has the molecular formula C14H19N9 and a molecular weight of 313.37 g/mol. Its IUPAC name is [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine
PubChem CID95215759
Molecular FormulaC14H19N9
Molecular Weight313.37 g/mol
Exact Mass313.18
IUPAC Name[1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(C[C@@H]2CCCN(c3ncnc4nc[nH]c34)C2)nn1
InChIInChI=1S/C14H19N9/c15-4-11-7-23(21-20-11)6-10-2-1-3-22(5-10)14-12-13(17-8-16-12)18-9-19-14/h7-10H,1-6,15H2,(H,16,17,18,19)/t10-/m1/s1
InChIKeyQHRTUDUPFHGPGH-SNVBAGLBSA-N
XLogP0.32
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine with MolForge

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Related Compounds

6-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]-7H-purine
CID 45196726
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine
CID 94022802
N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 72853686
N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 146128239
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553426
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97212210
6-[(3S)-3-ethylsulfanylazepan-1-yl]-7H-purine
CID 95622987
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644

Frequently Asked Questions

What is the IUPAC name of [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine (CID 95215759) is [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine is NCc1cn(C[C@@H]2CCCN(c3ncnc4nc[nH]c34)C2)nn1.
What is the InChIKey of [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is QHRTUDUPFHGPGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N9/c15-4-11-7-23(21-20-11)6-10-2-1-3-22(5-10)14-12-13(17-8-16-12)18-9-19-14/h7-10H,1-6,15H2,(H,16,17,18,19)/t10-/m1/s1.
What are the key properties of [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine?
[1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 313.37 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 95215759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).