3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine

C20H20N6 — CID 72923605

IUPAC3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine
SMILESCc1ccc(C(c2cccnc2)n2cc(-c3nccn3C)nn2)cc1C
InChIInChI=1S/C20H20N6/c1-14-6-7-16(11-15(14)2)19(17-5-4-8-21-12-17)26-13-18(23-24-26)20-22-9-10-25(20)3/h4-13,19H,1-3H3
InChIKeyDJIVSTQRUUIWRV-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.33
Rot. Bonds4

About 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine

3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine (PubChem CID 72923605) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine
PubChem CID72923605
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine
SMILESCc1ccc(C(c2cccnc2)n2cc(-c3nccn3C)nn2)cc1C
InChIInChI=1S/C20H20N6/c1-14-6-7-16(11-15(14)2)19(17-5-4-8-21-12-17)26-13-18(23-24-26)20-22-9-10-25(20)3/h4-13,19H,1-3H3
InChIKeyDJIVSTQRUUIWRV-UHFFFAOYSA-N
XLogP3.33
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(S)-(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine
CID 97148465
6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50955034
(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404141
1-(3,4-dimethylphenyl)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 131930310
3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine
CID 167957721
6-(1-methylimidazol-2-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]pyridazin-3-amine
CID 95486508
3,4-dimethyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazol-3-ium
CID 123282833
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
6-(1-methylimidazol-2-yl)-N-(2-pyridin-3-yloxypropyl)pyridazin-3-amine
CID 56739047
1-methyl-2-(1-methylimidazol-4-yl)imidazole
CID 15897140
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide
CID 58672264

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine (CID 72923605) is 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine is Cc1ccc(C(c2cccnc2)n2cc(-c3nccn3C)nn2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine?
The InChIKey is DJIVSTQRUUIWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-14-6-7-16(11-15(14)2)19(17-5-4-8-21-12-17)26-13-18(23-24-26)20-22-9-10-25(20)3/h4-13,19H,1-3H3.
What are the key properties of 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine?
3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine has a molecular weight of 344.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 72923605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).