2-(1H-1,2,4-triazol-5-ylamino)benzamide

C9H9N5O — CID 139933696

IUPAC2-(1H-1,2,4-triazol-5-ylamino)benzamide
SMILESNC(=O)c1ccccc1Nc1ncn[nH]1
InChIInChI=1S/C9H9N5O/c10-8(15)6-3-1-2-4-7(6)13-9-11-5-12-14-9/h1-5H,(H2,10,15)(H2,11,12,13,14)
InChIKeyGJYFTGSMADCWEH-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.65
Rot. Bonds3

About 2-(1H-1,2,4-triazol-5-ylamino)benzamide

2-(1H-1,2,4-triazol-5-ylamino)benzamide (PubChem CID 139933696) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylamino)benzamide.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylamino)benzamide
PubChem CID139933696
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name2-(1H-1,2,4-triazol-5-ylamino)benzamide
SMILESNC(=O)c1ccccc1Nc1ncn[nH]1
InChIInChI=1S/C9H9N5O/c10-8(15)6-3-1-2-4-7(6)13-9-11-5-12-14-9/h1-5H,(H2,10,15)(H2,11,12,13,14)
InChIKeyGJYFTGSMADCWEH-UHFFFAOYSA-N
XLogP0.65
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylamino)benzamide?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylamino)benzamide (CID 139933696) is 2-(1H-1,2,4-triazol-5-ylamino)benzamide.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylamino)benzamide?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylamino)benzamide is NC(=O)c1ccccc1Nc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylamino)benzamide?
The InChIKey is GJYFTGSMADCWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-8(15)6-3-1-2-4-7(6)13-9-11-5-12-14-9/h1-5H,(H2,10,15)(H2,11,12,13,14).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylamino)benzamide?
2-(1H-1,2,4-triazol-5-ylamino)benzamide has a molecular weight of 203.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylamino)benzamide is sourced from PubChem (CID 139933696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).