1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one

C7H12N4O2 — CID 126726632

IUPAC1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one
SMILESCOCn1nnnc1C(=O)C(C)C
InChIInChI=1S/C7H12N4O2/c1-5(2)6(12)7-8-9-10-11(7)4-13-3/h5H,4H2,1-3H3
InChIKeyASTUAIZTMPDVBB-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.12
Rot. Bonds4

About 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one

1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one (PubChem CID 126726632) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one
PubChem CID126726632
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one
SMILESCOCn1nnnc1C(=O)C(C)C
InChIInChI=1S/C7H12N4O2/c1-5(2)6(12)7-8-9-10-11(7)4-13-3/h5H,4H2,1-3H3
InChIKeyASTUAIZTMPDVBB-UHFFFAOYSA-N
XLogP0.12
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(3-methylbutyl)tetrazole-5-carboxylate
CID 79318083
N-methoxy-2-(5-methyltetrazol-1-yl)acetamide
CID 127012088
4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071951
methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425
1-[1-(3,3-difluoropropyl)tetrazol-5-yl]ethanone
CID 84662391
ethyl 1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]tetrazole-5-carboxylate
CID 79318323
2-(5-methyltetrazol-1-yl)acetamide
CID 71946280
2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
CID 84759092
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795278
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 103028686

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one (CID 126726632) is 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one is COCn1nnnc1C(=O)C(C)C.
What is the InChIKey of 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one?
The InChIKey is ASTUAIZTMPDVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(2)6(12)7-8-9-10-11(7)4-13-3/h5H,4H2,1-3H3.
What are the key properties of 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one?
1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one has a molecular weight of 184.20 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 126726632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).