2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine

C8H12N4 — CID 173107871

IUPAC2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1CC(n2cncn2)=CCN1
InChIInChI=1S/C8H12N4/c1-7-4-8(2-3-10-7)12-6-9-5-11-12/h2,5-7,10H,3-4H2,1H3
InChIKeyAGTZXEMFPDVPCT-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.50
Rot. Bonds1

About 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine

2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 173107871) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine
PubChem CID173107871
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1CC(n2cncn2)=CCN1
InChIInChI=1S/C8H12N4/c1-7-4-8(2-3-10-7)12-6-9-5-11-12/h2,5-7,10H,3-4H2,1H3
InChIKeyAGTZXEMFPDVPCT-UHFFFAOYSA-N
XLogP0.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine;hydrochloride
CID 117763561
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine
CID 117763562
5,5-Dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine;hydrochloride
CID 117763986
5,5-Dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
CID 117763987
3-(1,2,4-Triazol-1-yl)cyclopent-2-en-1-amine
CID 121317437
1-(3-Azidocyclohexen-1-yl)-1,2,4-triazole
CID 121317476
6,6-Dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
CID 121317558
5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137181789
N,6,6-trimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
CID 141424888
N-ethyl-5,5-dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
CID 141424897
N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
CID 141424914
(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine
CID 143922029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine (CID 173107871) is 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine is CC1CC(n2cncn2)=CCN1.
What is the InChIKey of 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is AGTZXEMFPDVPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-7-4-8(2-3-10-7)12-6-9-5-11-12/h2,5-7,10H,3-4H2,1H3.
What are the key properties of 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine?
2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 164.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 173107871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).