1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole

C11H16N4 — CID 107054359

IUPAC1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole
SMILESCc1cn(Cc2cn(C)nn2)c(C)c1C
InChIInChI=1S/C11H16N4/c1-8-5-15(10(3)9(8)2)7-11-6-14(4)13-12-11/h5-6H,7H2,1-4H3
InChIKeyMDYQDTRBKOKYLD-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.59
Rot. Bonds2

About 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole

1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole (PubChem CID 107054359) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole
PubChem CID107054359
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole
SMILESCc1cn(Cc2cn(C)nn2)c(C)c1C
InChIInChI=1S/C11H16N4/c1-8-5-15(10(3)9(8)2)7-11-6-14(4)13-12-11/h5-6H,7H2,1-4H3
InChIKeyMDYQDTRBKOKYLD-UHFFFAOYSA-N
XLogP1.59
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole
CID 107058851
2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole
CID 63926670
4-[(4,5-diiodoimidazol-1-yl)methyl]-1-methyltriazole
CID 130508270
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine
CID 107042795
4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
CID 131101712
2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride
CID 107051968
ethane;4-ethyl-1-methyltriazole
CID 143593274
1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole
CID 167563396
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate
CID 107044007
4-(bromomethyl)-1-[(1-methyltriazol-4-yl)methyl]triazole
CID 107052782

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole?
The IUPAC name of 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole (CID 107054359) is 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole.
What is the SMILES notation for 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole?
The canonical SMILES for 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole is Cc1cn(Cc2cn(C)nn2)c(C)c1C.
What is the InChIKey of 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole?
The InChIKey is MDYQDTRBKOKYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-5-15(10(3)9(8)2)7-11-6-14(4)13-12-11/h5-6H,7H2,1-4H3.
What are the key properties of 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole?
1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole has a molecular weight of 204.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole is sourced from PubChem (CID 107054359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).