6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine

C10H16N4 — CID 121317558

IUPAC6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
SMILESCC1(C)CCC(n2cncn2)=CC1N
InChIInChI=1S/C10H16N4/c1-10(2)4-3-8(5-9(10)11)14-7-12-6-13-14/h5-7,9H,3-4,11H2,1-2H3
InChIKeyJRZSQCWJUNTNEG-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.27
Rot. Bonds1

About 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine

6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine (PubChem CID 121317558) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
PubChem CID121317558
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
SMILESCC1(C)CCC(n2cncn2)=CC1N
InChIInChI=1S/C10H16N4/c1-10(2)4-3-8(5-9(10)11)14-7-12-6-13-14/h5-7,9H,3-4,11H2,1-2H3
InChIKeyJRZSQCWJUNTNEG-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine?
The IUPAC name of 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine (CID 121317558) is 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine is CC1(C)CCC(n2cncn2)=CC1N.
What is the InChIKey of 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine?
The InChIKey is JRZSQCWJUNTNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-10(2)4-3-8(5-9(10)11)14-7-12-6-13-14/h5-7,9H,3-4,11H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine?
6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine has a molecular weight of 192.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 121317558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).