1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one

C12H15N5O2 — CID 134228535

IUPAC1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one
SMILESCCCCc1ccc(N=O)c(-n2nnn(C)c2=O)c1
InChIInChI=1S/C12H15N5O2/c1-3-4-5-9-6-7-10(13-19)11(8-9)17-12(18)16(2)14-15-17/h6-8H,3-5H2,1-2H3
InChIKeyYAVWWGLSWUZPME-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.71
Rot. Bonds5

About 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one

1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one (PubChem CID 134228535) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one
PubChem CID134228535
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one
SMILESCCCCc1ccc(N=O)c(-n2nnn(C)c2=O)c1
InChIInChI=1S/C12H15N5O2/c1-3-4-5-9-6-7-10(13-19)11(8-9)17-12(18)16(2)14-15-17/h6-8H,3-5H2,1-2H3
InChIKeyYAVWWGLSWUZPME-UHFFFAOYSA-N
XLogP1.71
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 121286154
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5-butyl-1-methylindole-2,3-dione
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1-methyl-4-[3-methyl-2-[[1-(3-pentoxyphenyl)ethylideneamino]oxymethyl]phenyl]tetrazol-5-one
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1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one
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sodium 2-carboxy-5-octylphenolate
CID 101311118
sodium 2-carboxy-5-tetradecylphenolate
CID 101311329
sodium 2-carboxy-5-hexylphenolate
CID 101311048
6-butyl-3-methyl-1,3-benzothiazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one?
The IUPAC name of 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one (CID 134228535) is 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one is CCCCc1ccc(N=O)c(-n2nnn(C)c2=O)c1.
What is the InChIKey of 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one?
The InChIKey is YAVWWGLSWUZPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-4-5-9-6-7-10(13-19)11(8-9)17-12(18)16(2)14-15-17/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one?
1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one has a molecular weight of 261.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one is sourced from PubChem (CID 134228535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).