1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine

C8H10N4 — CID 141395357

IUPAC1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine
SMILESCN1C=CC=C(c2ncn[nH]2)C1
InChIInChI=1S/C8H10N4/c1-12-4-2-3-7(5-12)8-9-6-10-11-8/h2-4,6H,5H2,1H3,(H,9,10,11)
InChIKeyBWDGFLSNXBCDLG-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.65
Rot. Bonds1

About 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine

1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine (PubChem CID 141395357) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine
PubChem CID141395357
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine
SMILESCN1C=CC=C(c2ncn[nH]2)C1
InChIInChI=1S/C8H10N4/c1-12-4-2-3-7(5-12)8-9-6-10-11-8/h2-4,6H,5H2,1H3,(H,9,10,11)
InChIKeyBWDGFLSNXBCDLG-UHFFFAOYSA-N
XLogP0.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)
CID 59252450
5-but-2-en-2-yl-1H-1,2,4-triazole
CID 91325798
5-[(2E,4Z)-octa-2,4-dien-3-yl]-1H-1,2,4-triazole
CID 117662523
N,N-dimethyl-5-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1H-1,2,4-triazol-3-amine
CID 123330850
5-cyclohepta-1,3,5,6-tetraen-1-yl-1H-1,2,4-triazole
CID 123560741
5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1H-1,2,4-triazole
CID 129196346
N-[(1Z,3E)-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dienyl]methanimine
CID 132126166
1-methyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395353
1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395362
(E)-N-methyl-2-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine
CID 144159856
ethane;5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-1,2,4-triazole
CID 144523472
5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-1,2,4-triazole
CID 144523473

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
The IUPAC name of 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine (CID 141395357) is 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine.
What is the SMILES notation for 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
The canonical SMILES for 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine is CN1C=CC=C(c2ncn[nH]2)C1.
What is the InChIKey of 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
The InChIKey is BWDGFLSNXBCDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-12-4-2-3-7(5-12)8-9-6-10-11-8/h2-4,6H,5H2,1H3,(H,9,10,11).
What are the key properties of 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine has a molecular weight of 162.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine is sourced from PubChem (CID 141395357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).