1,2,3-benzotriazine-4-carboxamide

C8H6N4O — CID 90188678

IUPAC1,2,3-benzotriazine-4-carboxamide
SMILESNC(=O)c1nnnc2ccccc12
InChIInChI=1S/C8H6N4O/c9-8(13)7-5-3-1-2-4-6(5)10-12-11-7/h1-4H,(H2,9,13)
InChIKeyAWTPENGOGCRYNB-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.12
Rot. Bonds1

About 1,2,3-benzotriazine-4-carboxamide

1,2,3-benzotriazine-4-carboxamide (PubChem CID 90188678) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 1,2,3-benzotriazine-4-carboxamide.

Molecular Properties

Compound Name1,2,3-benzotriazine-4-carboxamide
PubChem CID90188678
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name1,2,3-benzotriazine-4-carboxamide
SMILESNC(=O)c1nnnc2ccccc12
InChIInChI=1S/C8H6N4O/c9-8(13)7-5-3-1-2-4-6(5)10-12-11-7/h1-4H,(H2,9,13)
InChIKeyAWTPENGOGCRYNB-UHFFFAOYSA-N
XLogP0.12
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzotriazine-4-carboxamide?
The IUPAC name of 1,2,3-benzotriazine-4-carboxamide (CID 90188678) is 1,2,3-benzotriazine-4-carboxamide.
What is the SMILES notation for 1,2,3-benzotriazine-4-carboxamide?
The canonical SMILES for 1,2,3-benzotriazine-4-carboxamide is NC(=O)c1nnnc2ccccc12.
What is the InChIKey of 1,2,3-benzotriazine-4-carboxamide?
The InChIKey is AWTPENGOGCRYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c9-8(13)7-5-3-1-2-4-6(5)10-12-11-7/h1-4H,(H2,9,13).
What are the key properties of 1,2,3-benzotriazine-4-carboxamide?
1,2,3-benzotriazine-4-carboxamide has a molecular weight of 174.16 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzotriazine-4-carboxamide is sourced from PubChem (CID 90188678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).