furan-2-yl(2H-tetrazol-5-yl)methanone

C6H4N4O2 — CID 139864601

IUPACfuran-2-yl(2H-tetrazol-5-yl)methanone
SMILESO=C(c1nn[nH]n1)c1ccco1
InChIInChI=1S/C6H4N4O2/c11-5(4-2-1-3-12-4)6-7-9-10-8-6/h1-3H,(H,7,8,9,10)
InChIKeyZEENUZDSMLNSER-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.02
Rot. Bonds2

About furan-2-yl(2H-tetrazol-5-yl)methanone

furan-2-yl(2H-tetrazol-5-yl)methanone (PubChem CID 139864601) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is furan-2-yl(2H-tetrazol-5-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl(2H-tetrazol-5-yl)methanone
PubChem CID139864601
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Namefuran-2-yl(2H-tetrazol-5-yl)methanone
SMILESO=C(c1nn[nH]n1)c1ccco1
InChIInChI=1S/C6H4N4O2/c11-5(4-2-1-3-12-4)6-7-9-10-8-6/h1-3H,(H,7,8,9,10)
InChIKeyZEENUZDSMLNSER-UHFFFAOYSA-N
XLogP0.02
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze furan-2-yl(2H-tetrazol-5-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

Se-(furan-2-carbonyl) furan-2-carboselenoate
CID 10967528
Se-(furan-2-carbonylselanyl) furan-2-carboselenoate
CID 14909312
N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 3606271
N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]furan-2-carboxamide
CID 169343785
furan-2-yl(phosphanyl)methanone
CID 151549332
3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid
CID 82126582
furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone
CID 19914090
furan-2-carboxamide;molecular hydrogen
CID 145259960
2-(furan-2-yl)-2-oxoethanethioic S-acid
CID 171037460
furan-2-yl-(1-methylpyrrol-3-yl)methanone
CID 82280498
3-[2-[(3-fluorophenyl)methyl]furan-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69138780
zinc furan-2-carboxylic acid
CID 25022579

Frequently Asked Questions

What is the IUPAC name of furan-2-yl(2H-tetrazol-5-yl)methanone?
The IUPAC name of furan-2-yl(2H-tetrazol-5-yl)methanone (CID 139864601) is furan-2-yl(2H-tetrazol-5-yl)methanone.
What is the SMILES notation for furan-2-yl(2H-tetrazol-5-yl)methanone?
The canonical SMILES for furan-2-yl(2H-tetrazol-5-yl)methanone is O=C(c1nn[nH]n1)c1ccco1.
What is the InChIKey of furan-2-yl(2H-tetrazol-5-yl)methanone?
The InChIKey is ZEENUZDSMLNSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-5(4-2-1-3-12-4)6-7-9-10-8-6/h1-3H,(H,7,8,9,10).
What are the key properties of furan-2-yl(2H-tetrazol-5-yl)methanone?
furan-2-yl(2H-tetrazol-5-yl)methanone has a molecular weight of 164.12 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(2H-tetrazol-5-yl)methanone is sourced from PubChem (CID 139864601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).