5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine

C13H20N6 — CID 159096028

IUPAC5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine
SMILESCc1nn(C2CCCC2)cc1CCc1nc(N)n[nH]1
InChIInChI=1S/C13H20N6/c1-9-10(6-7-12-15-13(14)17-16-12)8-19(18-9)11-4-2-3-5-11/h8,11H,2-7H2,1H3,(H3,14,15,16,17)
InChIKeyKCRGVMGMYGYTIT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.79
Rot. Bonds4

About 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine

5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine (PubChem CID 159096028) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine
PubChem CID159096028
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine
SMILESCc1nn(C2CCCC2)cc1CCc1nc(N)n[nH]1
InChIInChI=1S/C13H20N6/c1-9-10(6-7-12-15-13(14)17-16-12)8-19(18-9)11-4-2-3-5-11/h8,11H,2-7H2,1H3,(H3,14,15,16,17)
InChIKeyKCRGVMGMYGYTIT-UHFFFAOYSA-N
XLogP1.79
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine
CID 83878558
2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
CID 112712810
1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one
CID 112712664
2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol
CID 122166396
1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride
CID 156589572
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
CID 132585916
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122167953
[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide
CID 165484245
[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine
CID 122532995
1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 167802529
5-[11-(3-amino-1H-1,2,4-triazol-5-yl)undecyl]-1H-1,2,4-triazol-3-amine
CID 169209981
5-[2-(4-aminophenyl)ethyl]-1H-1,2,4-triazol-3-amine
CID 91704051

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine (CID 159096028) is 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine is Cc1nn(C2CCCC2)cc1CCc1nc(N)n[nH]1.
What is the InChIKey of 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is KCRGVMGMYGYTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9-10(6-7-12-15-13(14)17-16-12)8-19(18-9)11-4-2-3-5-11/h8,11H,2-7H2,1H3,(H3,14,15,16,17).
What are the key properties of 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine?
5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 260.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159096028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).