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

C6H10N4O2 — CID 107046931

IUPAC1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCOCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H10N4O2/c1-10-8-6(7-9-10)3-5(11)4-12-2/h3-4H2,1-2H3
InChIKeyHKEWRPIICITPTR-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.03
Rot. Bonds4

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

1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107046931) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107046931
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCOCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H10N4O2/c1-10-8-6(7-9-10)3-5(11)4-12-2/h3-4H2,1-2H3
InChIKeyHKEWRPIICITPTR-UHFFFAOYSA-N
XLogP-1.03
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methyltetrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 107047663
1-(2-Methyltetrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 107047666
1-Methoxy-4-(2-methyltetrazol-5-yl)butan-2-one
CID 107044532
1-(2-Methyltetrazol-5-yl)-3-propoxypropan-2-one
CID 107046955
3-Ethoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047078
1-Ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047179
3-Methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047268
1,1-Dimethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047275
1,1-Diethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047277
3-Methoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047283
3-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047478
3-Ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047481

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107046931) is 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one is COCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is HKEWRPIICITPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-10-8-6(7-9-10)3-5(11)4-12-2/h3-4H2,1-2H3.
What are the key properties of 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 170.17 g/mol, XLogP of -1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107046931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).