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

C15H26N4 — CID 55107971

IUPAC1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
SMILESNC1(c2nncn2C2CCCCC2)CCCCCC1
InChIInChI=1S/C15H26N4/c16-15(10-6-1-2-7-11-15)14-18-17-12-19(14)13-8-4-3-5-9-13/h12-13H,1-11,16H2
InChIKeyKEISDEMMNOAVPO-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.29
Rot. Bonds2

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

1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine (PubChem CID 55107971) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
PubChem CID55107971
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
SMILESNC1(c2nncn2C2CCCCC2)CCCCCC1
InChIInChI=1S/C15H26N4/c16-15(10-6-1-2-7-11-15)14-18-17-12-19(14)13-8-4-3-5-9-13/h12-13H,1-11,16H2
InChIKeyKEISDEMMNOAVPO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine (CID 55107971) is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine is NC1(c2nncn2C2CCCCC2)CCCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The InChIKey is KEISDEMMNOAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c16-15(10-6-1-2-7-11-15)14-18-17-12-19(14)13-8-4-3-5-9-13/h12-13H,1-11,16H2.
What are the key properties of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)cycloheptan-1-amine is sourced from PubChem (CID 55107971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).