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

C14H24N4O — CID 43791517

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1nnc2n1CCC2
InChIInChI=1S/C14H24N4O/c1-10(14-17-16-13-8-5-9-18(13)14)15-11-6-3-4-7-12(11)19-2/h10-12,15H,3-9H2,1-2H3
InChIKeyXDQNJUQKVDEINV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds4

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 43791517) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID43791517
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1nnc2n1CCC2
InChIInChI=1S/C14H24N4O/c1-10(14-17-16-13-8-5-9-18(13)14)15-11-6-3-4-7-12(11)19-2/h10-12,15H,3-9H2,1-2H3
InChIKeyXDQNJUQKVDEINV-UHFFFAOYSA-N
XLogP1.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methoxycyclohexan-1-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine (CID 43791517) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-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-methoxycyclohexan-1-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NC(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-methoxycyclohexan-1-amine?
The InChIKey is XDQNJUQKVDEINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(14-17-16-13-8-5-9-18(13)14)15-11-6-3-4-7-12(11)19-2/h10-12,15H,3-9H2,1-2H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-methoxycyclohexan-1-amine is sourced from PubChem (CID 43791517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).