4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol

C18H16N4O — CID 135427920

IUPAC4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol
SMILESCn1c(-c2ccc(O)cc2)nnc1-c1cccc2c1ccn2C
InChIInChI=1S/C18H16N4O/c1-21-11-10-14-15(4-3-5-16(14)21)18-20-19-17(22(18)2)12-6-8-13(23)9-7-12/h3-11,23H,1-2H3
InChIKeyOUQNCJWPBUSXPR-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.35
Rot. Bonds2

About 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol

4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol (PubChem CID 135427920) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol
PubChem CID135427920
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol
SMILESCn1c(-c2ccc(O)cc2)nnc1-c1cccc2c1ccn2C
InChIInChI=1S/C18H16N4O/c1-21-11-10-14-15(4-3-5-16(14)21)18-20-19-17(22(18)2)12-6-8-13(23)9-7-12/h3-11,23H,1-2H3
InChIKeyOUQNCJWPBUSXPR-UHFFFAOYSA-N
XLogP3.35
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylbenzo[e]benzimidazol-2-yl)phenol
CID 135727095
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
2-[3,5-bis(4-hydroxyphenyl)-1,2,4-triazol-4-yl]isoindole-1,3-dione
CID 136912084
4-chloro-1-methylindole;ethane
CID 142062846
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
4-(1,4,5-trimethylimidazol-2-yl)phenol
CID 135971971
2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol
CID 135626900
4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 142445290
N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide
CID 146122582
ethyl 3-chloro-5-[(1-methylindol-4-yl)amino]-1,2,4-triazine-6-carboxylate
CID 90308765
2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
CID 865794
24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene
CID 168810962

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol (CID 135427920) is 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol is Cn1c(-c2ccc(O)cc2)nnc1-c1cccc2c1ccn2C.
What is the InChIKey of 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol?
The InChIKey is OUQNCJWPBUSXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-21-11-10-14-15(4-3-5-16(14)21)18-20-19-17(22(18)2)12-6-8-13(23)9-7-12/h3-11,23H,1-2H3.
What are the key properties of 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol?
4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol has a molecular weight of 304.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-(1-methylindol-4-yl)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135427920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).