1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine

C14H24N4 — CID 55107684

IUPAC1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
SMILESNC1(c2nncn2C2CCCC2)CCCCCC1
InChIInChI=1S/C14H24N4/c15-14(9-5-1-2-6-10-14)13-17-16-11-18(13)12-7-3-4-8-12/h11-12H,1-10,15H2
InChIKeyHZJSCLNKEVEYMG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds2

About 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine

1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine (PubChem CID 55107684) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
PubChem CID55107684
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
SMILESNC1(c2nncn2C2CCCC2)CCCCCC1
InChIInChI=1S/C14H24N4/c15-14(9-5-1-2-6-10-14)13-17-16-11-18(13)12-7-3-4-8-12/h11-12H,1-10,15H2
InChIKeyHZJSCLNKEVEYMG-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The IUPAC name of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine (CID 55107684) is 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine is NC1(c2nncn2C2CCCC2)CCCCCC1.
What is the InChIKey of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The InChIKey is HZJSCLNKEVEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-14(9-5-1-2-6-10-14)13-17-16-11-18(13)12-7-3-4-8-12/h11-12H,1-10,15H2.
What are the key properties of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptan-1-amine is sourced from PubChem (CID 55107684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).