4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole

C7H8N4 — CID 136631027

IUPAC4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
SMILESCn1cnnc1-c1ccc[nH]1
InChIInChI=1S/C7H8N4/c1-11-5-9-10-7(11)6-3-2-4-8-6/h2-5,8H,1H3
InChIKeyZEYGSEDTRYHTOY-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.81
Rot. Bonds1

About 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole

4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole (PubChem CID 136631027) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
PubChem CID136631027
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
SMILESCn1cnnc1-c1ccc[nH]1
InChIInChI=1S/C7H8N4/c1-11-5-9-10-7(11)6-3-2-4-8-6/h2-5,8H,1H3
InChIKeyZEYGSEDTRYHTOY-UHFFFAOYSA-N
XLogP0.81
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(1H-pyrrol-2-yl)pyrazole
CID 137013321
5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
CID 136742882
3-(4-bromophenyl)-4-methyl-1,2,4-triazole
CID 79014882
3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135915288
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
4-methyl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-triazole
CID 115395285
3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
CID 115395259
N-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 115395448
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
4,5-dimethyl-6-(1H-pyrrol-2-yl)pyridazin-3-amine
CID 103341793
[1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine
CID 83695794

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole (CID 136631027) is 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole is Cn1cnnc1-c1ccc[nH]1.
What is the InChIKey of 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole?
The InChIKey is ZEYGSEDTRYHTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-11-5-9-10-7(11)6-3-2-4-8-6/h2-5,8H,1H3.
What are the key properties of 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole?
4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole has a molecular weight of 148.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole is sourced from PubChem (CID 136631027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).