methane;1-(2H-tetrazol-5-yl)propan-2-one

C5H10N4O — CID 159373133

IUPACmethane;1-(2H-tetrazol-5-yl)propan-2-one
SMILESC.CC(=O)Cc1nn[nH]n1
InChIInChI=1S/C4H6N4O.CH4/c1-3(9)2-4-5-7-8-6-4;/h2H2,1H3,(H,5,6,7,8);1H4
InChIKeyLJZJOGJRTFHTDX-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.03
Rot. Bonds2

About methane;1-(2H-tetrazol-5-yl)propan-2-one

methane;1-(2H-tetrazol-5-yl)propan-2-one (PubChem CID 159373133) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is methane;1-(2H-tetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Namemethane;1-(2H-tetrazol-5-yl)propan-2-one
PubChem CID159373133
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Namemethane;1-(2H-tetrazol-5-yl)propan-2-one
SMILESC.CC(=O)Cc1nn[nH]n1
InChIInChI=1S/C4H6N4O.CH4/c1-3(9)2-4-5-7-8-6-4;/h2H2,1H3,(H,5,6,7,8);1H4
InChIKeyLJZJOGJRTFHTDX-UHFFFAOYSA-N
XLogP-0.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;1-(2H-tetrazol-5-yl)propan-2-one?
The IUPAC name of methane;1-(2H-tetrazol-5-yl)propan-2-one (CID 159373133) is methane;1-(2H-tetrazol-5-yl)propan-2-one.
What is the SMILES notation for methane;1-(2H-tetrazol-5-yl)propan-2-one?
The canonical SMILES for methane;1-(2H-tetrazol-5-yl)propan-2-one is C.CC(=O)Cc1nn[nH]n1.
What is the InChIKey of methane;1-(2H-tetrazol-5-yl)propan-2-one?
The InChIKey is LJZJOGJRTFHTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.CH4/c1-3(9)2-4-5-7-8-6-4;/h2H2,1H3,(H,5,6,7,8);1H4.
What are the key properties of methane;1-(2H-tetrazol-5-yl)propan-2-one?
methane;1-(2H-tetrazol-5-yl)propan-2-one has a molecular weight of 142.16 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2H-tetrazol-5-yl)propan-2-one is sourced from PubChem (CID 159373133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).