1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine

C15H26N4 — CID 55111192

IUPAC1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
SMILESCn1nc(C2CCCC2)nc1C1(N)CCCCCC1
InChIInChI=1S/C15H26N4/c1-19-14(15(16)10-6-2-3-7-11-15)17-13(18-19)12-8-4-5-9-12/h12H,2-11,16H2,1H3
InChIKeyGZNDCCAEVSJZDD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.98
Rot. Bonds2

About 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine

1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine (PubChem CID 55111192) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
PubChem CID55111192
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
SMILESCn1nc(C2CCCC2)nc1C1(N)CCCCCC1
InChIInChI=1S/C15H26N4/c1-19-14(15(16)10-6-2-3-7-11-15)17-13(18-19)12-8-4-5-9-12/h12H,2-11,16H2,1H3
InChIKeyGZNDCCAEVSJZDD-UHFFFAOYSA-N
XLogP2.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The IUPAC name of 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine (CID 55111192) is 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine is Cn1nc(C2CCCC2)nc1C1(N)CCCCCC1.
What is the InChIKey of 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The InChIKey is GZNDCCAEVSJZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-19-14(15(16)10-6-2-3-7-11-15)17-13(18-19)12-8-4-5-9-12/h12H,2-11,16H2,1H3.
What are the key properties of 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine is sourced from PubChem (CID 55111192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).