3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole

C8H10N4 — CID 59485371

IUPAC3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole
SMILESCc1nncn1-c1cccn1C
InChIInChI=1S/C8H10N4/c1-7-10-9-6-12(7)8-4-3-5-11(8)2/h3-6H,1-2H3
InChIKeyZQAFBXQBWZSQQQ-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.91
Rot. Bonds1

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

3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole (PubChem CID 59485371) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole
PubChem CID59485371
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole
SMILESCc1nncn1-c1cccn1C
InChIInChI=1S/C8H10N4/c1-7-10-9-6-12(7)8-4-3-5-11(8)2/h3-6H,1-2H3
InChIKeyZQAFBXQBWZSQQQ-UHFFFAOYSA-N
XLogP0.91
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 647722
3,6-Di(1H-imidazol-1-yl)pyridazine
CID 12698878
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
8-Pyrazin-2-yl-3-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 97519724
1-(2-Cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile
CID 2797766
1-{Imidazo[1,2-b]pyridazin-6-yl}pyrrolidine
CID 23657729
4-(Pyrrol-1-yl)-1,2,4-triazole
CID 12203607
1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
CID 2797249
N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine
CID 20885086
Imidazo[1,2-b]pyridazinium, 1-methyl-
CID 12248342
Pyrrolo[1,2-d]tetrazole
CID 21226033
1,2-Di(pyrrol-1-yl)pyrrole
CID 21909405

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole?
The IUPAC name of 3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole (CID 59485371) is 3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole is Cc1nncn1-c1cccn1C.
What is the InChIKey of 3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole?
The InChIKey is ZQAFBXQBWZSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-7-10-9-6-12(7)8-4-3-5-11(8)2/h3-6H,1-2H3.
What are the key properties of 3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole?
3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole has a molecular weight of 162.20 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole is sourced from PubChem (CID 59485371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).