4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide

C11H11N5O — CID 114389539

IUPAC4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2nccnn2)cc1
InChIInChI=1S/C11H11N5O/c1-12-9-4-2-8(3-5-9)10(17)15-11-13-6-7-14-16-11/h2-7,12H,1H3,(H,13,15,16,17)
InChIKeyZJMLIADYMCRHRY-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.17
Rot. Bonds3

About 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide

4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 114389539) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID114389539
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2nccnn2)cc1
InChIInChI=1S/C11H11N5O/c1-12-9-4-2-8(3-5-9)10(17)15-11-13-6-7-14-16-11/h2-7,12H,1H3,(H,13,15,16,17)
InChIKeyZJMLIADYMCRHRY-UHFFFAOYSA-N
XLogP1.17
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 18146011
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4-(dimethylamino)-3-fluoro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide (CID 114389539) is 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide is CNc1ccc(C(=O)Nc2nccnn2)cc1.
What is the InChIKey of 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is ZJMLIADYMCRHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-12-9-4-2-8(3-5-9)10(17)15-11-13-6-7-14-16-11/h2-7,12H,1H3,(H,13,15,16,17).
What are the key properties of 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide?
4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 229.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114389539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).