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

C4H8N4O — CID 143630465

IUPACmolecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one
SMILESCC(=O)Cc1nn[nH]n1.[H][H]
InChIInChI=1S/C4H6N4O.H2/c1-3(9)2-4-5-7-8-6-4;/h2H2,1H3,(H,5,6,7,8);1H
InChIKeyUITVFJAXJXPNBP-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.42
Rot. Bonds2

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

molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one (PubChem CID 143630465) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Namemolecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one
PubChem CID143630465
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Namemolecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one
SMILESCC(=O)Cc1nn[nH]n1.[H][H]
InChIInChI=1S/C4H6N4O.H2/c1-3(9)2-4-5-7-8-6-4;/h2H2,1H3,(H,5,6,7,8);1H
InChIKeyUITVFJAXJXPNBP-UHFFFAOYSA-N
XLogP-0.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(2H-tetrazol-5-yl)butan-2-one
CID 11367221
1-(2H-Tetrazol-5-yl)-2-propanone
CID 15209014
2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-one
CID 283976
1,1,1-trifluoro-3-(1H-1,2,3,4-tetrazol-5-yl)propan-2-one
CID 165642324
3-methyl-1-(2H-tetrazol-5-yl)butan-2-one
CID 23540423
1-(2-Methyltetrazol-5-yl)propan-2-one
CID 45085583
2-methyl-1-(2H-tetrazol-5-yl)propan-1-one
CID 53996970
6-(2H-tetrazol-5-yl)hexan-2-one
CID 57669491
2-(2H-tetrazol-5-yl)pentan-3-one
CID 58062083
1-(1H-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 58432616
5-(2H-tetrazol-5-yl)pentan-2-one
CID 59450617
1-(2H-tetrazol-5-yl)butan-2-one
CID 67725109

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one?
The IUPAC name of molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one (CID 143630465) is molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one.
What is the SMILES notation for molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one?
The canonical SMILES for molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one is CC(=O)Cc1nn[nH]n1.[H][H].
What is the InChIKey of molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one?
The InChIKey is UITVFJAXJXPNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.H2/c1-3(9)2-4-5-7-8-6-4;/h2H2,1H3,(H,5,6,7,8);1H.
What are the key properties of molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one?
molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one has a molecular weight of 128.13 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-(2H-tetrazol-5-yl)propan-2-one is sourced from PubChem (CID 143630465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).