2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine

C11H20N4 — CID 115714390

IUPAC2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine
SMILESCC(Cn1cncn1)NC1CCCC1C
InChIInChI=1S/C11H20N4/c1-9-4-3-5-11(9)14-10(2)6-15-8-12-7-13-15/h7-11,14H,3-6H2,1-2H3
InChIKeyNFJAGRFBYDRFGQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.44
Rot. Bonds4

About 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine

2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine (PubChem CID 115714390) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine
PubChem CID115714390
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine
SMILESCC(Cn1cncn1)NC1CCCC1C
InChIInChI=1S/C11H20N4/c1-9-4-3-5-11(9)14-10(2)6-15-8-12-7-13-15/h7-11,14H,3-6H2,1-2H3
InChIKeyNFJAGRFBYDRFGQ-UHFFFAOYSA-N
XLogP1.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
CID 124845430
2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine
CID 115716745
2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 56720085
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64761194
3-(4-fluorophenyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine
CID 99618678
3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine
CID 99618679
2,4-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine
CID 64761671
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol
CID 64809235
(1R)-7-bromo-4-fluoro-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
CID 97073001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine (CID 115714390) is 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine is CC(Cn1cncn1)NC1CCCC1C.
What is the InChIKey of 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine?
The InChIKey is NFJAGRFBYDRFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-4-3-5-11(9)14-10(2)6-15-8-12-7-13-15/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine?
2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 115714390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).