2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone

C14H12N4O — CID 107046984

IUPAC2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
SMILESCn1nnc(CC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C14H12N4O/c1-18-16-14(15-17-18)9-13(19)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKeyNGQRWOIMJNBUDQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone

2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone (PubChem CID 107046984) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
PubChem CID107046984
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
SMILESCn1nnc(CC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C14H12N4O/c1-18-16-14(15-17-18)9-13(19)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKeyNGQRWOIMJNBUDQ-UHFFFAOYSA-N
XLogP1.79
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
1-(1-benzothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063264
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063619
N-[(2-methyltetrazol-5-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 107042355
1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047405
1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063336
1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063556
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 107063462
1-(5-chlorothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063611
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
CID 107043934

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone (CID 107046984) is 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone is Cn1nnc(CC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone?
The InChIKey is NGQRWOIMJNBUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-18-16-14(15-17-18)9-13(19)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone?
2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone has a molecular weight of 252.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone is sourced from PubChem (CID 107046984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).