1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea

C11H14N6O4 — CID 10851307

IUPAC1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2nn[nH]n2)c(OC)c1
InChIInChI=1S/C11H14N6O4/c1-19-6-4-7(20-2)9(8(5-6)21-3)12-11(18)13-10-14-16-17-15-10/h4-5H,1-3H3,(H3,12,13,14,15,16,17,18)
InChIKeyQANYKXSTHDIXML-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.87
Rot. Bonds5

About 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea

1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea (PubChem CID 10851307) has the molecular formula C11H14N6O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea
PubChem CID10851307
Molecular FormulaC11H14N6O4
Molecular Weight294.27 g/mol
Exact Mass294.11
IUPAC Name1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2nn[nH]n2)c(OC)c1
InChIInChI=1S/C11H14N6O4/c1-19-6-4-7(20-2)9(8(5-6)21-3)12-11(18)13-10-14-16-17-15-10/h4-5H,1-3H3,(H3,12,13,14,15,16,17,18)
InChIKeyQANYKXSTHDIXML-UHFFFAOYSA-N
XLogP0.87
TPSA123.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
CID 82499633
6-(4-chlorophenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784865
[2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid
CID 19764431
6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784883
CID 70528241
CID 70528241
sodium;6-[4-(dimethylamino)phenyl]-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide;hydride
CID 173433554
4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784870
3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
CID 14154240
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477
2-bromo-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 82108807

Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea?
The IUPAC name of 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea (CID 10851307) is 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea?
The canonical SMILES for 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea is COc1cc(OC)c(NC(=O)Nc2nn[nH]n2)c(OC)c1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea?
The InChIKey is QANYKXSTHDIXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O4/c1-19-6-4-7(20-2)9(8(5-6)21-3)12-11(18)13-10-14-16-17-15-10/h4-5H,1-3H3,(H3,12,13,14,15,16,17,18).
What are the key properties of 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea?
1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea has a molecular weight of 294.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea is sourced from PubChem (CID 10851307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).