[3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid

C15H13N5O2 — CID 69112093

IUPAC[3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid
SMILESCn1nnnc1-c1cccc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C15H13N5O2/c1-19-14(16-17-18-19)11-6-5-9-13(10-11)20(15(21)22)12-7-3-2-4-8-12/h2-10H,1H3,(H,21,22)
InChIKeyWTSOTCOFCONWTP-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.69
Rot. Bonds3

About [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid

[3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid (PubChem CID 69112093) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid.

Molecular Properties

Compound Name[3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid
PubChem CID69112093
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name[3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid
SMILESCn1nnnc1-c1cccc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C15H13N5O2/c1-19-14(16-17-18-19)11-6-5-9-13(10-11)20(15(21)22)12-7-3-2-4-8-12/h2-10H,1H3,(H,21,22)
InChIKeyWTSOTCOFCONWTP-UHFFFAOYSA-N
XLogP2.69
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid?
The IUPAC name of [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid (CID 69112093) is [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid.
What is the SMILES notation for [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid?
The canonical SMILES for [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid is Cn1nnnc1-c1cccc(N(C(=O)O)c2ccccc2)c1.
What is the InChIKey of [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid?
The InChIKey is WTSOTCOFCONWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-19-14(16-17-18-19)11-6-5-9-13(10-11)20(15(21)22)12-7-3-2-4-8-12/h2-10H,1H3,(H,21,22).
What are the key properties of [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid?
[3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid has a molecular weight of 295.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methyltetrazol-5-yl)phenyl]-phenylcarbamic acid is sourced from PubChem (CID 69112093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).