1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one

C8H12N4O — CID 107044538

IUPAC1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnc(CCC(=O)C2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-4-7(13)6-2-3-6/h6H,2-5H2,1H3
InChIKeyWWDRINZQQQCVAW-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds4

About 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one

1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one (PubChem CID 107044538) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one
PubChem CID107044538
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnc(CCC(=O)C2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-4-7(13)6-2-3-6/h6H,2-5H2,1H3
InChIKeyWWDRINZQQQCVAW-UHFFFAOYSA-N
XLogP0.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Cyclopropyltetrazol-2-yl)methyl]cyclohexan-1-one
CID 128353873
1-Cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
CID 11378701
3,3-Dimethyl-4-(2-methyltetrazol-5-yl)butan-2-one
CID 69535159
3-Methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-one
CID 137470755
3-Methyl-1-(2-propyltetrazol-5-yl)butan-2-one
CID 137470757
2-Cyclopropyl-3-(2-methyltetrazol-5-yl)propanal
CID 175249609
4-(2-Methyltetrazol-5-yl)butan-2-one
CID 107044500
1-(2-Methyltetrazol-5-yl)hexan-3-one
CID 107044501
4,4-Dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044503
1-(2-Methyltetrazol-5-yl)pentan-3-one
CID 107044505
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044506
3-Methyl-4-(2-methyltetrazol-5-yl)butan-2-one
CID 107044508

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one (CID 107044538) is 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one is Cn1nnc(CCC(=O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one?
The InChIKey is WWDRINZQQQCVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-4-7(13)6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one?
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one has a molecular weight of 180.21 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 107044538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).