4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole

C14H14N4 — CID 142183458

IUPAC4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole
SMILESCc1cccc(-c2n[nH]nc2-c2c[nH]c(C)c2)c1
InChIInChI=1S/C14H14N4/c1-9-4-3-5-11(6-9)13-14(17-18-16-13)12-7-10(2)15-8-12/h3-8,15H,1-2H3,(H,16,17,18)
InChIKeyJFUDZCVNPAZCCD-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.08
Rot. Bonds2

About 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole

4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole (PubChem CID 142183458) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole.

Molecular Properties

Compound Name4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole
PubChem CID142183458
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole
SMILESCc1cccc(-c2n[nH]nc2-c2c[nH]c(C)c2)c1
InChIInChI=1S/C14H14N4/c1-9-4-3-5-11(6-9)13-14(17-18-16-13)12-7-10(2)15-8-12/h3-8,15H,1-2H3,(H,16,17,18)
InChIKeyJFUDZCVNPAZCCD-UHFFFAOYSA-N
XLogP3.08
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol
CID 117167817
2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
CID 138453473
3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
CID 71568660
[5-ethyl-4-(3-methylphenyl)-1H-imidazol-2-yl]methanol
CID 105470026
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
3-(3-methylphenyl)-1H-pyrazin-2-one
CID 112558965
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111524
1-ethyl-4-(3-methylphenyl)imidazole
CID 174530735
trimethyl-[6-(3-methylphenyl)-3-pyridinyl]silane
CID 166573501

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole?
The IUPAC name of 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole (CID 142183458) is 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole.
What is the SMILES notation for 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole?
The canonical SMILES for 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole is Cc1cccc(-c2n[nH]nc2-c2c[nH]c(C)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole?
The InChIKey is JFUDZCVNPAZCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-4-3-5-11(6-9)13-14(17-18-16-13)12-7-10(2)15-8-12/h3-8,15H,1-2H3,(H,16,17,18).
What are the key properties of 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole?
4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole has a molecular weight of 238.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole is sourced from PubChem (CID 142183458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).