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

C15H28N4 — CID 43748124

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C15H28N4/c1-5-11(3)10-13(6-2)16-12(4)15-18-17-14-8-7-9-19(14)15/h11-13,16H,5-10H2,1-4H3
InChIKeyXMCJJLQIZNPOTL-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.09
Rot. Bonds7

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine (PubChem CID 43748124) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine
PubChem CID43748124
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C15H28N4/c1-5-11(3)10-13(6-2)16-12(4)15-18-17-14-8-7-9-19(14)15/h11-13,16H,5-10H2,1-4H3
InChIKeyXMCJJLQIZNPOTL-UHFFFAOYSA-N
XLogP3.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}ethan-1-amine
CID 16227920
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-[(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-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine (CID 43748124) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine is CCC(C)CC(CC)NC(C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine?
The InChIKey is XMCJJLQIZNPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-11(3)10-13(6-2)16-12(4)15-18-17-14-8-7-9-19(14)15/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine has a molecular weight of 264.42 g/mol, XLogP of 3.09, 7 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]-5-methylheptan-3-amine is sourced from PubChem (CID 43748124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).