1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea

C15H15N5O2 — CID 1084173

IUPAC1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc3c(c2)nnn3C)c1
InChIInChI=1S/C15H15N5O2/c1-20-14-7-6-11(9-13(14)18-19-20)17-15(21)16-10-4-3-5-12(8-10)22-2/h3-9H,1-2H3,(H2,16,17,21)
InChIKeySVJNTXONDMTIDO-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea

1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea (PubChem CID 1084173) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea
PubChem CID1084173
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc3c(c2)nnn3C)c1
InChIInChI=1S/C15H15N5O2/c1-20-14-7-6-11(9-13(14)18-19-20)17-15(21)16-10-4-3-5-12(8-10)22-2/h3-9H,1-2H3,(H2,16,17,21)
InChIKeySVJNTXONDMTIDO-UHFFFAOYSA-N
XLogP2.62
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea (CID 1084173) is 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea is COc1cccc(NC(=O)Nc2ccc3c(c2)nnn3C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The InChIKey is SVJNTXONDMTIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20-14-7-6-11(9-13(14)18-19-20)17-15(21)16-10-4-3-5-12(8-10)22-2/h3-9H,1-2H3,(H2,16,17,21).
What are the key properties of 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea has a molecular weight of 297.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea is sourced from PubChem (CID 1084173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).