3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

C10H10ClN5O — CID 112576091

IUPAC3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C10H10ClN5O/c1-16-10(13-5-14-16)15-9(17)6-3-2-4-7(12)8(6)11/h2-5H,12H2,1H3,(H,13,14,15,17)
InChIKeyABLXODLNOFFLBB-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.30
Rot. Bonds2

About 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 112576091) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID112576091
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C10H10ClN5O/c1-16-10(13-5-14-16)15-9(17)6-3-2-4-7(12)8(6)11/h2-5H,12H2,1H3,(H,13,14,15,17)
InChIKeyABLXODLNOFFLBB-UHFFFAOYSA-N
XLogP1.30
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
CID 115549707
3-amino-2,5-difluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 107121292
2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)quinoline-4-carboxamide
CID 80709861
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
2-chloro-4-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylsulfinylbenzamide
CID 176825744
5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 80709517
2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
CID 80716626
3-(ethylamino)-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
CID 115549338
3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 112576003
3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 115930162
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 112576091) is 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cn1ncnc1NC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is ABLXODLNOFFLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-16-10(13-5-14-16)15-9(17)6-3-2-4-7(12)8(6)11/h2-5H,12H2,1H3,(H,13,14,15,17).
What are the key properties of 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 251.68 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 112576091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).