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

C15H26N4 — CID 64760468

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCC(C)C1C)c1nnc2n1CCC2
InChIInChI=1S/C15H26N4/c1-10-6-4-7-13(11(10)2)16-12(3)15-18-17-14-8-5-9-19(14)15/h10-13,16H,4-9H2,1-3H3
InChIKeyHBMQOASIRYAGMZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds3

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 64760468) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID64760468
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCC(C)C1C)c1nnc2n1CCC2
InChIInChI=1S/C15H26N4/c1-10-6-4-7-13(11(10)2)16-12(3)15-18-17-14-8-5-9-19(14)15/h10-13,16H,4-9H2,1-3H3
InChIKeyHBMQOASIRYAGMZ-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-1-amine (CID 64760468) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-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]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-1-amine is CC(NC1CCCC(C)C1C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is HBMQOASIRYAGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-10-6-4-7-13(11(10)2)16-12(3)15-18-17-14-8-5-9-19(14)15/h10-13,16H,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]-2,3-dimethylcyclohexan-1-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.70, 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]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64760468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).