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

C6H12N4O — CID 156809476

IUPACethane;1-(2H-tetrazol-5-yl)propan-2-one
SMILESCC.CC(=O)Cc1nn[nH]n1
InChIInChI=1S/C4H6N4O.C2H6/c1-3(9)2-4-5-7-8-6-4;1-2/h2H2,1H3,(H,5,6,7,8);1-2H3
InChIKeyTYKGNLUQGPCQIF-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.36
Rot. Bonds2

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

ethane;1-(2H-tetrazol-5-yl)propan-2-one (PubChem CID 156809476) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is ethane;1-(2H-tetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Nameethane;1-(2H-tetrazol-5-yl)propan-2-one
PubChem CID156809476
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Nameethane;1-(2H-tetrazol-5-yl)propan-2-one
SMILESCC.CC(=O)Cc1nn[nH]n1
InChIInChI=1S/C4H6N4O.C2H6/c1-3(9)2-4-5-7-8-6-4;1-2/h2H2,1H3,(H,5,6,7,8);1-2H3
InChIKeyTYKGNLUQGPCQIF-UHFFFAOYSA-N
XLogP0.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
CID 175092025
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
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hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
CID 22307052
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175714955
N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496403
2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
CID 110498043
2-cyanoacetic acid;2-(2H-tetrazol-5-yl)acetic acid
CID 159042084
2H-tetrazol-5-ylmethyl carbamate
CID 175043654
1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
CID 902451
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
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tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate
CID 141207083

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2H-tetrazol-5-yl)propan-2-one?
The IUPAC name of ethane;1-(2H-tetrazol-5-yl)propan-2-one (CID 156809476) is ethane;1-(2H-tetrazol-5-yl)propan-2-one.
What is the SMILES notation for ethane;1-(2H-tetrazol-5-yl)propan-2-one?
The canonical SMILES for ethane;1-(2H-tetrazol-5-yl)propan-2-one is CC.CC(=O)Cc1nn[nH]n1.
What is the InChIKey of ethane;1-(2H-tetrazol-5-yl)propan-2-one?
The InChIKey is TYKGNLUQGPCQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.C2H6/c1-3(9)2-4-5-7-8-6-4;1-2/h2H2,1H3,(H,5,6,7,8);1-2H3.
What are the key properties of ethane;1-(2H-tetrazol-5-yl)propan-2-one?
ethane;1-(2H-tetrazol-5-yl)propan-2-one has a molecular weight of 156.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2H-tetrazol-5-yl)propan-2-one is sourced from PubChem (CID 156809476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).