1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea

C13H18N6O — CID 138054522

IUPAC1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea
SMILESCCN(Cc1ccccc1C)C(=O)Nc1nnn(C)n1
InChIInChI=1S/C13H18N6O/c1-4-19(9-11-8-6-5-7-10(11)2)13(20)14-12-15-17-18(3)16-12/h5-8H,4,9H2,1-3H3,(H,14,16,20)
InChIKeyJAHPQUIYTQDKKU-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.57
Rot. Bonds4

About 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea

1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea (PubChem CID 138054522) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea
PubChem CID138054522
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea
SMILESCCN(Cc1ccccc1C)C(=O)Nc1nnn(C)n1
InChIInChI=1S/C13H18N6O/c1-4-19(9-11-8-6-5-7-10(11)2)13(20)14-12-15-17-18(3)16-12/h5-8H,4,9H2,1-3H3,(H,14,16,20)
InChIKeyJAHPQUIYTQDKKU-UHFFFAOYSA-N
XLogP1.57
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea
CID 47267033
1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
CID 110894693
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
2-(tert-butylamino)-N-ethyl-N-[(2-methylphenyl)methyl]acetamide
CID 112727493
3-(1-ethyl-1,2,4-triazol-3-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 46982263
2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide
CID 9185026
2-[2-[ethyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690659
3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749278
N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide
CID 79204952
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
(3R,4S)-N-ethyl-N-[(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120924085
N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea?
The IUPAC name of 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea (CID 138054522) is 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea.
What is the SMILES notation for 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea?
The canonical SMILES for 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea is CCN(Cc1ccccc1C)C(=O)Nc1nnn(C)n1.
What is the InChIKey of 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea?
The InChIKey is JAHPQUIYTQDKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-4-19(9-11-8-6-5-7-10(11)2)13(20)14-12-15-17-18(3)16-12/h5-8H,4,9H2,1-3H3,(H,14,16,20).
What are the key properties of 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea?
1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea has a molecular weight of 274.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea is sourced from PubChem (CID 138054522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).