7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole

C18H15N3 — CID 20578654

IUPAC7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1c(-c2ccccc2)cn2c(-c3ccccc3)n[nH]c12
InChIInChI=1S/C18H15N3/c1-13-16(14-8-4-2-5-9-14)12-21-17(13)19-20-18(21)15-10-6-3-7-11-15/h2-12,19H,1H3
InChIKeyLWHRWTXDZQMSRI-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.30
Rot. Bonds2

About 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole

7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 20578654) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID20578654
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1c(-c2ccccc2)cn2c(-c3ccccc3)n[nH]c12
InChIInChI=1S/C18H15N3/c1-13-16(14-8-4-2-5-9-14)12-21-17(13)19-20-18(21)15-10-6-3-7-11-15/h2-12,19H,1H3
InChIKeyLWHRWTXDZQMSRI-UHFFFAOYSA-N
XLogP4.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-diethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 9801006
5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528
5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 118712699
6-Phenyl-7-(propan-2-yl)-5H-imidazo(1,2-b)pyrazole
CID 3076267
6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162646075
6-(3-propan-2-ylphenyl)-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162664026
4-(4-Fluorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
CID 709680
6,8-Diphenyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 155932716
1,2,4-Triazolo(5,1-a)isoindole
CID 70552035
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
CID 17965516
2-(4-Methylphenyl)-1,6-diphenyl-7-(trifluoromethyl)pyrrolo[1,2-b][1,2,4]triazole
CID 20578622
6-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
CID 23433715

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole (CID 20578654) is 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole is Cc1c(-c2ccccc2)cn2c(-c3ccccc3)n[nH]c12.
What is the InChIKey of 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is LWHRWTXDZQMSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-16(14-8-4-2-5-9-14)12-21-17(13)19-20-18(21)15-10-6-3-7-11-15/h2-12,19H,1H3.
What are the key properties of 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 273.34 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 20578654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).