1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine

C12H22N4 — CID 61337973

IUPAC1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H22N4/c1-12(2,3)9(13)11-14-10(15-16-11)8-6-4-5-7-8/h8-9H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyRDMIINRHHHDLOY-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.51
Rot. Bonds2

About 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine

1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine (PubChem CID 61337973) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine
PubChem CID61337973
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H22N4/c1-12(2,3)9(13)11-14-10(15-16-11)8-6-4-5-7-8/h8-9H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyRDMIINRHHHDLOY-UHFFFAOYSA-N
XLogP2.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(butan-2-yl)-1H-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride
CID 86775457
4,4-dimethyl-1-(4H-1,2,4-triazol-3-yl)pentan-1-amine dihydrochloride
CID 119032830
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 75439955
3-{[(3,3,5,5-tetramethylcyclohexyl)amino]methyl}-1H-1,2,4-triazol-5-amine
CID 122567628
5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125437424
1-[5-(butan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
CID 63716691
(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-amine
CID 90079653
4,4-Dimethyl-1-(4h-1,2,4-triazol-3-yl)pentan-1-amine
CID 65362660
N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 79266376
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
CID 79788957
[3-(3,3-Difluorocyclopentyl)-1h-1,2,4-triazol-5-yl]methanamine
CID 130485034
[(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide
CID 159039515

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine (CID 61337973) is 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is RDMIINRHHHDLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,3)9(13)11-14-10(15-16-11)8-6-4-5-7-8/h8-9H,4-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine?
1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61337973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).