N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine

C14H23N5 — CID 138006730

IUPACN-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
SMILESCn1nc(C2CC2)nc1CNC12CCCC1NCC2
InChIInChI=1S/C14H23N5/c1-19-12(17-13(18-19)10-4-5-10)9-16-14-6-2-3-11(14)15-8-7-14/h10-11,15-16H,2-9H2,1H3
InChIKeyPCTZHLJHBXTYKX-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.07
Rot. Bonds4

About N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine

N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine (PubChem CID 138006730) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
PubChem CID138006730
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
SMILESCn1nc(C2CC2)nc1CNC12CCCC1NCC2
InChIInChI=1S/C14H23N5/c1-19-12(17-13(18-19)10-4-5-10)9-16-14-6-2-3-11(14)15-8-7-14/h10-11,15-16H,2-9H2,1H3
InChIKeyPCTZHLJHBXTYKX-UHFFFAOYSA-N
XLogP1.07
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-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

N-(cyclohexylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748087
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine
CID 43748111
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylheptan-3-amine
CID 43748124
N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748153
1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
CID 55097010
N-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylmethanamine
CID 55111193
N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 55111236
3-Cyclopentyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 55111428
3-Cyclohexyl-1-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 55111657
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2,2-dimethyl-3-pyrrolidinamine dihydrochloride
CID 56712434
N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 62071570
3-Cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62720363

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
The IUPAC name of N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine (CID 138006730) is N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine.
What is the SMILES notation for N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
The canonical SMILES for N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine is Cn1nc(C2CC2)nc1CNC12CCCC1NCC2.
What is the InChIKey of N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
The InChIKey is PCTZHLJHBXTYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-19-12(17-13(18-19)10-4-5-10)9-16-14-6-2-3-11(14)15-8-7-14/h10-11,15-16H,2-9H2,1H3.
What are the key properties of N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine has a molecular weight of 261.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine is sourced from PubChem (CID 138006730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).