2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide

C13H14ClN5O — CID 114387350

IUPAC2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2nccnn2)cc(Cl)n1
InChIInChI=1S/C13H14ClN5O/c1-13(2,3)9-6-8(7-10(14)17-9)11(20)18-12-15-4-5-16-19-12/h4-7H,1-3H3,(H,15,18,19,20)
InChIKeyHKWBHNQVSWZIRB-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.47
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide

2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide (PubChem CID 114387350) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
PubChem CID114387350
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2nccnn2)cc(Cl)n1
InChIInChI=1S/C13H14ClN5O/c1-13(2,3)9-6-8(7-10(14)17-9)11(20)18-12-15-4-5-16-19-12/h4-7H,1-3H3,(H,15,18,19,20)
InChIKeyHKWBHNQVSWZIRB-UHFFFAOYSA-N
XLogP2.47
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
CID 116794886
2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 106895538
(2S)-2-[(2-tert-butyl-6-chloropyridine-4-carbonyl)amino]propanoic acid
CID 114036543
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389554
2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841535
2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide
CID 113379890
2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 113379994
4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389539
2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
CID 114052237
2-hydrazinyl-6-propan-2-yl-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 114389598
5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide
CID 130636960
3,5-dichloro-4-(1,2,4-triazin-3-ylcarbamoylamino)benzoic acid
CID 114388674

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide (CID 114387350) is 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)Nc2nccnn2)cc(Cl)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
The InChIKey is HKWBHNQVSWZIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-13(2,3)9-6-8(7-10(14)17-9)11(20)18-12-15-4-5-16-19-12/h4-7H,1-3H3,(H,15,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114387350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).