ethane;4-(2-methylphenyl)-1H-tetrazol-5-one

C10H14N4O — CID 145130008

IUPACethane;4-(2-methylphenyl)-1H-tetrazol-5-one
SMILESCC.Cc1ccccc1-n1nn[nH]c1=O
InChIInChI=1S/C8H8N4O.C2H6/c1-6-4-2-3-5-7(6)12-8(13)9-10-11-12;1-2/h2-5H,1H3,(H,9,11,13);1-2H3
InChIKeyHKTALDPXTSAQEU-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.29
Rot. Bonds1

About ethane;4-(2-methylphenyl)-1H-tetrazol-5-one

ethane;4-(2-methylphenyl)-1H-tetrazol-5-one (PubChem CID 145130008) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is ethane;4-(2-methylphenyl)-1H-tetrazol-5-one.

Molecular Properties

Compound Nameethane;4-(2-methylphenyl)-1H-tetrazol-5-one
PubChem CID145130008
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Nameethane;4-(2-methylphenyl)-1H-tetrazol-5-one
SMILESCC.Cc1ccccc1-n1nn[nH]c1=O
InChIInChI=1S/C8H8N4O.C2H6/c1-6-4-2-3-5-7(6)12-8(13)9-10-11-12;1-2/h2-5H,1H3,(H,9,11,13);1-2H3
InChIKeyHKTALDPXTSAQEU-UHFFFAOYSA-N
XLogP1.29
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylphenyl)-1H-tetrazol-5-one?
The IUPAC name of ethane;4-(2-methylphenyl)-1H-tetrazol-5-one (CID 145130008) is ethane;4-(2-methylphenyl)-1H-tetrazol-5-one.
What is the SMILES notation for ethane;4-(2-methylphenyl)-1H-tetrazol-5-one?
The canonical SMILES for ethane;4-(2-methylphenyl)-1H-tetrazol-5-one is CC.Cc1ccccc1-n1nn[nH]c1=O.
What is the InChIKey of ethane;4-(2-methylphenyl)-1H-tetrazol-5-one?
The InChIKey is HKTALDPXTSAQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O.C2H6/c1-6-4-2-3-5-7(6)12-8(13)9-10-11-12;1-2/h2-5H,1H3,(H,9,11,13);1-2H3.
What are the key properties of ethane;4-(2-methylphenyl)-1H-tetrazol-5-one?
ethane;4-(2-methylphenyl)-1H-tetrazol-5-one has a molecular weight of 206.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylphenyl)-1H-tetrazol-5-one is sourced from PubChem (CID 145130008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).