methane;5-methyl-2H-tetrazole;propan-2-one

C6H14N4O — CID 161165743

IUPACmethane;5-methyl-2H-tetrazole;propan-2-one
SMILESC.CC(C)=O.Cc1nn[nH]n1
InChIInChI=1S/C3H6O.C2H4N4.CH4/c1-3(2)4;1-2-3-5-6-4-2;/h1-2H3;1H3,(H,3,4,5,6);1H4
InChIKeyUQMYNTLKYRYLPO-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.74
Rot. Bonds

About methane;5-methyl-2H-tetrazole;propan-2-one

methane;5-methyl-2H-tetrazole;propan-2-one (PubChem CID 161165743) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is methane;5-methyl-2H-tetrazole;propan-2-one.

Molecular Properties

Compound Namemethane;5-methyl-2H-tetrazole;propan-2-one
PubChem CID161165743
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Namemethane;5-methyl-2H-tetrazole;propan-2-one
SMILESC.CC(C)=O.Cc1nn[nH]n1
InChIInChI=1S/C3H6O.C2H4N4.CH4/c1-3(2)4;1-2-3-5-6-4-2;/h1-2H3;1H3,(H,3,4,5,6);1H4
InChIKeyUQMYNTLKYRYLPO-UHFFFAOYSA-N
XLogP0.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methane;5-methyl-2H-tetrazole;propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-2H-tetrazole;propan-2-one?
The IUPAC name of methane;5-methyl-2H-tetrazole;propan-2-one (CID 161165743) is methane;5-methyl-2H-tetrazole;propan-2-one.
What is the SMILES notation for methane;5-methyl-2H-tetrazole;propan-2-one?
The canonical SMILES for methane;5-methyl-2H-tetrazole;propan-2-one is C.CC(C)=O.Cc1nn[nH]n1.
What is the InChIKey of methane;5-methyl-2H-tetrazole;propan-2-one?
The InChIKey is UQMYNTLKYRYLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4N4.CH4/c1-3(2)4;1-2-3-5-6-4-2;/h1-2H3;1H3,(H,3,4,5,6);1H4.
What are the key properties of methane;5-methyl-2H-tetrazole;propan-2-one?
methane;5-methyl-2H-tetrazole;propan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-2H-tetrazole;propan-2-one is sourced from PubChem (CID 161165743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).