3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine

C10H16N4 — CID 107054964

IUPAC3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine
SMILESCn1cc(CC2=CC(N)CCC2)nn1
InChIInChI=1S/C10H16N4/c1-14-7-10(12-13-14)6-8-3-2-4-9(11)5-8/h5,7,9H,2-4,6,11H2,1H3
InChIKeyYVKXKQCIRHISHW-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.80
Rot. Bonds2

About 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine

3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine (PubChem CID 107054964) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine
PubChem CID107054964
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine
SMILESCn1cc(CC2=CC(N)CCC2)nn1
InChIInChI=1S/C10H16N4/c1-14-7-10(12-13-14)6-8-3-2-4-9(11)5-8/h5,7,9H,2-4,6,11H2,1H3
InChIKeyYVKXKQCIRHISHW-UHFFFAOYSA-N
XLogP0.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine?
The IUPAC name of 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine (CID 107054964) is 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine?
The canonical SMILES for 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine is Cn1cc(CC2=CC(N)CCC2)nn1.
What is the InChIKey of 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine?
The InChIKey is YVKXKQCIRHISHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-14-7-10(12-13-14)6-8-3-2-4-9(11)5-8/h5,7,9H,2-4,6,11H2,1H3.
What are the key properties of 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine?
3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine has a molecular weight of 192.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltriazol-4-yl)methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 107054964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).