N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine

C14H24N4 — CID 43748076

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1nnc2n1CCC2
InChIInChI=1S/C14H24N4/c1-10-6-3-4-7-12(10)15-11(2)14-17-16-13-8-5-9-18(13)14/h10-12,15H,3-9H2,1-2H3
InChIKeyXVCSIMHAQLGDPB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.45
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 43748076) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine
PubChem CID43748076
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1nnc2n1CCC2
InChIInChI=1S/C14H24N4/c1-10-6-3-4-7-12(10)15-11(2)14-17-16-13-8-5-9-18(13)14/h10-12,15H,3-9H2,1-2H3
InChIKeyXVCSIMHAQLGDPB-UHFFFAOYSA-N
XLogP2.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 43142797
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
2-methyl-1-(5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazol-3-yl)propan-1-amine
CID 43142798
4-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}cyclohexan-1-amine
CID 60810840
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 71988904
N'-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-ethyl-8-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 75424272
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine
CID 75444884
trans-3-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91794902
trans-(1S,2S)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 137992724
3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}piperidine
CID 43142787
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754262
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757665

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine (CID 43748076) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine is CC(NC1CCCCC1C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is XVCSIMHAQLGDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10-6-3-4-7-12(10)15-11(2)14-17-16-13-8-5-9-18(13)14/h10-12,15H,3-9H2,1-2H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43748076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).