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

C12H22N4 — CID 62723021

IUPAC1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
SMILESCCc1nc(C2(N)CCCCCC2)n(C)n1
InChIInChI=1S/C12H22N4/c1-3-10-14-11(16(2)15-10)12(13)8-6-4-5-7-9-12/h3-9,13H2,1-2H3
InChIKeyWWKRKTYLGAAYBZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.89
Rot. Bonds2

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

1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine (PubChem CID 62723021) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
PubChem CID62723021
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
SMILESCCc1nc(C2(N)CCCCCC2)n(C)n1
InChIInChI=1S/C12H22N4/c1-3-10-14-11(16(2)15-10)12(13)8-6-4-5-7-9-12/h3-9,13H2,1-2H3
InChIKeyWWKRKTYLGAAYBZ-UHFFFAOYSA-N
XLogP1.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The IUPAC name of 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine (CID 62723021) is 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine is CCc1nc(C2(N)CCCCCC2)n(C)n1.
What is the InChIKey of 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
The InChIKey is WWKRKTYLGAAYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-10-14-11(16(2)15-10)12(13)8-6-4-5-7-9-12/h3-9,13H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine?
1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine is sourced from PubChem (CID 62723021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).