1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea

C14H12N6O — CID 23540920

IUPAC1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N6O/c21-14(15-11-4-2-1-3-5-11)16-12-8-6-10(7-9-12)13-17-19-20-18-13/h1-9H,(H2,15,16,21)(H,17,18,19,20)
InChIKeyKTIWLNFSBOCUHG-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.51
Rot. Bonds3

About 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea

1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea (PubChem CID 23540920) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea
PubChem CID23540920
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N6O/c21-14(15-11-4-2-1-3-5-11)16-12-8-6-10(7-9-12)13-17-19-20-18-13/h1-9H,(H2,15,16,21)(H,17,18,19,20)
InChIKeyKTIWLNFSBOCUHG-UHFFFAOYSA-N
XLogP2.51
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
1-cycloheptyl-1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10717610
N-[2-(2-phenyltetrazol-5-yl)phenyl]acetamide
CID 145964072
N-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 856050
2,2,3,3,4,4,4-Heptafluoro-N-[4-(1H-tetrazol-5-yl)phenyl]butanamide
CID 14253819
2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 166404173
N-[4-(2H-tetrazol-5-ylmethyl)phenyl]butanamide
CID 44385323
1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea
CID 118723280
N-(4-methylphenyl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 2382877

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea (CID 23540920) is 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea?
The InChIKey is KTIWLNFSBOCUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c21-14(15-11-4-2-1-3-5-11)16-12-8-6-10(7-9-12)13-17-19-20-18-13/h1-9H,(H2,15,16,21)(H,17,18,19,20).
What are the key properties of 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea?
1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea has a molecular weight of 280.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(2H-tetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 23540920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).