N-methyl-2-phenyltetrazole-5-carboxamide

C9H9N5O — CID 71791263

IUPACN-methyl-2-phenyltetrazole-5-carboxamide
SMILESCNC(=O)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C9H9N5O/c1-10-9(15)8-11-13-14(12-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,15)
InChIKeyRVAAQNATWXBZER-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.02
Rot. Bonds2

About N-methyl-2-phenyltetrazole-5-carboxamide

N-methyl-2-phenyltetrazole-5-carboxamide (PubChem CID 71791263) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is N-methyl-2-phenyltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyltetrazole-5-carboxamide
PubChem CID71791263
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC NameN-methyl-2-phenyltetrazole-5-carboxamide
SMILESCNC(=O)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C9H9N5O/c1-10-9(15)8-11-13-14(12-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,15)
InChIKeyRVAAQNATWXBZER-UHFFFAOYSA-N
XLogP0.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyltetrazole-5-carboxamide?
The IUPAC name of N-methyl-2-phenyltetrazole-5-carboxamide (CID 71791263) is N-methyl-2-phenyltetrazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-phenyltetrazole-5-carboxamide?
The canonical SMILES for N-methyl-2-phenyltetrazole-5-carboxamide is CNC(=O)c1nnn(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyltetrazole-5-carboxamide?
The InChIKey is RVAAQNATWXBZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-10-9(15)8-11-13-14(12-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,15).
What are the key properties of N-methyl-2-phenyltetrazole-5-carboxamide?
N-methyl-2-phenyltetrazole-5-carboxamide has a molecular weight of 203.20 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyltetrazole-5-carboxamide is sourced from PubChem (CID 71791263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).