7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one

C15H16N4O2 — CID 166200215

IUPAC7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(Cn3nnnc3C(C)C)cc(=O)oc2c1
InChIInChI=1S/C15H16N4O2/c1-9(2)15-16-17-18-19(15)8-11-7-14(20)21-13-6-10(3)4-5-12(11)13/h4-7,9H,8H2,1-3H3
InChIKeyLFLQSBGRZBIRFM-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.26
Rot. Bonds3

About 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one

7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one (PubChem CID 166200215) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one
PubChem CID166200215
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(Cn3nnnc3C(C)C)cc(=O)oc2c1
InChIInChI=1S/C15H16N4O2/c1-9(2)15-16-17-18-19(15)8-11-7-14(20)21-13-6-10(3)4-5-12(11)13/h4-7,9H,8H2,1-3H3
InChIKeyLFLQSBGRZBIRFM-UHFFFAOYSA-N
XLogP2.26
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one
CID 167878271
7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one
CID 75482323
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
3-[(7-methyl-2-oxochromen-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 26550611
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
7-methyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one
CID 16528189
4-[[2-hydroxypropyl(methyl)amino]methyl]-7-methylchromen-2-one
CID 55061028
1-[(7-methyl-2-oxochromen-4-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 18290113
7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 23606550
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-7-methylchromen-2-one
CID 111106970
7-methyl-4-(pyridin-4-ylsulfanylmethyl)chromen-2-one
CID 154750047

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one (CID 166200215) is 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one is Cc1ccc2c(Cn3nnnc3C(C)C)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one?
The InChIKey is LFLQSBGRZBIRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9(2)15-16-17-18-19(15)8-11-7-14(20)21-13-6-10(3)4-5-12(11)13/h4-7,9H,8H2,1-3H3.
What are the key properties of 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one?
7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(5-propan-2-yltetrazol-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 166200215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).