5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine

C10H16N4 — CID 130963909

IUPAC5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine
SMILESCC1CC(c2nncn2C)=CC(N)C1
InChIInChI=1S/C10H16N4/c1-7-3-8(5-9(11)4-7)10-13-12-6-14(10)2/h5-7,9H,3-4,11H2,1-2H3
InChIKeyNQFGEJNUTKPNQG-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.96
Rot. Bonds1

About 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine

5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine (PubChem CID 130963909) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine
PubChem CID130963909
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine
SMILESCC1CC(c2nncn2C)=CC(N)C1
InChIInChI=1S/C10H16N4/c1-7-3-8(5-9(11)4-7)10-13-12-6-14(10)2/h5-7,9H,3-4,11H2,1-2H3
InChIKeyNQFGEJNUTKPNQG-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1,2-Difluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]cyclohexa-1,5-dien-1-amine
CID 171510571
6,6-dimethyl-3-(1H-1,2,4-triazol-5-yl)cyclohex-2-en-1-amine
CID 117761755
4-[3-(1-Methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine
CID 135259110
3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane
CID 143782084
(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
CID 143782091
(3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine
CID 146514435
(3E)-4-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]hexa-1,3,5-trien-2-amine
CID 166078807
(3E)-4-[3-ethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]hexa-1,3,5-trien-2-amine
CID 166079065
(2Z,4E)-5-(4-cyclopropyl-1,2,4-triazol-3-yl)octa-2,4-dien-1-amine
CID 166691099
4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine
CID 167217300
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43783874

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine?
The IUPAC name of 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine (CID 130963909) is 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine is CC1CC(c2nncn2C)=CC(N)C1.
What is the InChIKey of 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine?
The InChIKey is NQFGEJNUTKPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7-3-8(5-9(11)4-7)10-13-12-6-14(10)2/h5-7,9H,3-4,11H2,1-2H3.
What are the key properties of 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine?
5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine has a molecular weight of 192.27 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 130963909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).