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

C14H24N4 — CID 43748087

IUPACN-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESCC(NCC1CCCCC1)c1nnc2n1CCC2
InChIInChI=1S/C14H24N4/c1-11(15-10-12-6-3-2-4-7-12)14-17-16-13-8-5-9-18(13)14/h11-12,15H,2-10H2,1H3
InChIKeyFXRQWUPSNZRRCS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.46
Rot. Bonds4

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

N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (PubChem CID 43748087) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
PubChem CID43748087
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESCC(NCC1CCCCC1)c1nnc2n1CCC2
InChIInChI=1S/C14H24N4/c1-11(15-10-12-6-3-2-4-7-12)14-17-16-13-8-5-9-18(13)14/h11-12,15H,2-10H2,1H3
InChIKeyFXRQWUPSNZRRCS-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.46
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
1-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-3-[(1-ethylcyclobutyl)methyl]urea
CID 71923067
3-(piperidin-3-yl)-6,7-dihydro-5H-pyrrolo(2,1-c)(1,2,4)triazole hydrochloride
CID 50988054
4-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}cyclohexan-1-amine
CID 60810840
4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 53192542
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

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (CID 43748087) is N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is CC(NCC1CCCCC1)c1nnc2n1CCC2.
What is the InChIKey of N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The InChIKey is FXRQWUPSNZRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(15-10-12-6-3-2-4-7-12)14-17-16-13-8-5-9-18(13)14/h11-12,15H,2-10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is sourced from PubChem (CID 43748087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).