7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one

C19H16N4O2 — CID 122192682

IUPAC7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(-n3cc(CNc4ccccc4)nn3)ccc12
InChIInChI=1S/C19H16N4O2/c1-13-9-19(24)25-18-10-16(7-8-17(13)18)23-12-15(21-22-23)11-20-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
InChIKeySFUZCYOWOKPQLY-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.29
Rot. Bonds4

About 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one

7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one (PubChem CID 122192682) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one
PubChem CID122192682
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(-n3cc(CNc4ccccc4)nn3)ccc12
InChIInChI=1S/C19H16N4O2/c1-13-9-19(24)25-18-10-16(7-8-17(13)18)23-12-15(21-22-23)11-20-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
InChIKeySFUZCYOWOKPQLY-UHFFFAOYSA-N
XLogP3.29
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2H-1-Benzopyran-2-one, 7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-
CID 80122
4-Methyl-7-[4-[(2-oxochromen-7-yl)oxymethyl]triazol-1-yl]chromen-2-one
CID 88314331
7-[[1-(3-Methoxyphenyl)triazol-4-yl]methoxy]chromen-2-one
CID 122192674
4-Methyl-7-[4-(phenoxymethyl)triazol-1-yl]chromen-2-one
CID 122192680
4-Methyl-7-[4-(phenylsulfanylmethyl)triazol-1-yl]chromen-2-one
CID 122192681
[3-[4-[(2-oxochromen-7-yl)oxymethyl]triazol-1-yl]phenyl] N-(5-phenylpentyl)carbamate
CID 127043878
[3-[4-[(2-oxochromen-7-yl)oxymethyl]triazol-1-yl]phenyl] N-heptylcarbamate
CID 127043880
5-Fluoro-1-[[1-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]methyl]pyrimidine-2,4-dione
CID 162674262
trans-(1R,2S)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 164624797
3-(1-Phenyltriazol-4-yl)chromen-2-one
CID 71449492
1-(3-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73426119
1-(3-ethoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73426211

Frequently Asked Questions

What is the IUPAC name of 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one?
The IUPAC name of 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one (CID 122192682) is 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one.
What is the SMILES notation for 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one?
The canonical SMILES for 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(-n3cc(CNc4ccccc4)nn3)ccc12.
What is the InChIKey of 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one?
The InChIKey is SFUZCYOWOKPQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-9-19(24)25-18-10-16(7-8-17(13)18)23-12-15(21-22-23)11-20-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3.
What are the key properties of 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one?
7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one has a molecular weight of 332.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(anilinomethyl)triazol-1-yl]-4-methylchromen-2-one is sourced from PubChem (CID 122192682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).