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

C8H8N6O — CID 174384855

IUPAC[4-(5H-tetrazol-5-yl)phenyl]urea
SMILESNC(=O)Nc1ccc(C2N=NN=N2)cc1
InChIInChI=1S/C8H8N6O/c9-8(15)10-6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4,7H,(H3,9,10,15)
InChIKeyLISZTCZOUNJRDR-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.01
Rot. Bonds2

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

[4-(5H-tetrazol-5-yl)phenyl]urea (PubChem CID 174384855) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is [4-(5H-tetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name[4-(5H-tetrazol-5-yl)phenyl]urea
PubChem CID174384855
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name[4-(5H-tetrazol-5-yl)phenyl]urea
SMILESNC(=O)Nc1ccc(C2N=NN=N2)cc1
InChIInChI=1S/C8H8N6O/c9-8(15)10-6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4,7H,(H3,9,10,15)
InChIKeyLISZTCZOUNJRDR-UHFFFAOYSA-N
XLogP2.01
TPSA104.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopentylphenyl)urea
CID 130193151
(4-bromophenyl)urea
CID 16074
[4-(cyclopropylamino)phenyl]urea
CID 103439135
2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
CID 107903880
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
molecular hydrogen;phenylurea
CID 143657584
[4-(cyclopentylamino)phenyl]urea
CID 43744886
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
Sodium 4-sulfophenylurea
CID 87590877
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
[4-(benzylamino)phenyl]urea
CID 43744943
phenylurea;thiourea
CID 160770333

Frequently Asked Questions

What is the IUPAC name of [4-(5H-tetrazol-5-yl)phenyl]urea?
The IUPAC name of [4-(5H-tetrazol-5-yl)phenyl]urea (CID 174384855) is [4-(5H-tetrazol-5-yl)phenyl]urea.
What is the SMILES notation for [4-(5H-tetrazol-5-yl)phenyl]urea?
The canonical SMILES for [4-(5H-tetrazol-5-yl)phenyl]urea is NC(=O)Nc1ccc(C2N=NN=N2)cc1.
What is the InChIKey of [4-(5H-tetrazol-5-yl)phenyl]urea?
The InChIKey is LISZTCZOUNJRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c9-8(15)10-6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4,7H,(H3,9,10,15).
What are the key properties of [4-(5H-tetrazol-5-yl)phenyl]urea?
[4-(5H-tetrazol-5-yl)phenyl]urea has a molecular weight of 204.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5H-tetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 174384855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).