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

C13H24N4 — CID 43748024

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)c1nnc2n1CCC2
InChIInChI=1S/C13H24N4/c1-4-6-10(2)9-14-11(3)13-16-15-12-7-5-8-17(12)13/h10-11,14H,4-9H2,1-3H3
InChIKeyMHYANPWCTJRESC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds6

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine (PubChem CID 43748024) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine
PubChem CID43748024
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)c1nnc2n1CCC2
InChIInChI=1S/C13H24N4/c1-4-6-10(2)9-14-11(3)13-16-15-12-7-5-8-17(12)13/h10-11,14H,4-9H2,1-3H3
InChIKeyMHYANPWCTJRESC-UHFFFAOYSA-N
XLogP2.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
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
2-methyl-1-(5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazol-3-yl)propan-1-amine
CID 43142798
4-ethyl-3-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazole
CID 65979590
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
1-(cyclopropylmethyl)-3-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]urea
CID 72020819
methyl({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl})amine
CID 16227402
1-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}ethan-1-amine
CID 16227920
4-methyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole
CID 62694259
3-(piperidin-3-yl)-6,7-dihydro-5H-pyrrolo(2,1-c)(1,2,4)triazole hydrochloride
CID 50988054
3,5-dimethyl-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole
CID 52191572
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

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-methylpentan-1-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine (CID 43748024) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-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-methylpentan-1-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine is CCCC(C)CNC(C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine?
The InChIKey is MHYANPWCTJRESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-6-10(2)9-14-11(3)13-16-15-12-7-5-8-17(12)13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.31, 6 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-methylpentan-1-amine is sourced from PubChem (CID 43748024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).