2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine

C7H8N4 — CID 19041087

IUPAC2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine
SMILESC1=CNC(n2cncn2)C=C1
InChIInChI=1S/C7H8N4/c1-2-4-9-7(3-1)11-6-8-5-10-11/h1-7,9H
InChIKeyVRFVRHAMOKOMDE-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.45
Rot. Bonds1

About 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine

2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine (PubChem CID 19041087) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine
PubChem CID19041087
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine
SMILESC1=CNC(n2cncn2)C=C1
InChIInChI=1S/C7H8N4/c1-2-4-9-7(3-1)11-6-8-5-10-11/h1-7,9H
InChIKeyVRFVRHAMOKOMDE-UHFFFAOYSA-N
XLogP0.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dihydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 136401674
4,7-Dihydro-1,2,4-triazolo[1,5-a]pyrimidine
CID 136428882
1,5-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136454086
1-(Prop-2-en-1-yl)-1H-1,2,4-triazol-3-amine
CID 19833650
1-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 57293588
1-(1,2,4-Triazol-1-yl)prop-2-en-1-amine
CID 70401313
1-(1,2,4-Triazol-1-yl)prop-2-en-1-amine;dihydrochloride
CID 70453931
3-(1,2,4-Triazol-1-yl)prop-2-en-1-amine
CID 70453971
2-Prop-2-enyl-1,2,4-triazol-3-amine
CID 86084691
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
CID 89075288
2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine
CID 122455653
5-Methyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136196381

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine (CID 19041087) is 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine is C1=CNC(n2cncn2)C=C1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine?
The InChIKey is VRFVRHAMOKOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-2-4-9-7(3-1)11-6-8-5-10-11/h1-7,9H.
What are the key properties of 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine?
2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine has a molecular weight of 148.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine is sourced from PubChem (CID 19041087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).