6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one

C12H14N4O — CID 135840397

IUPAC6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-12(2,3)9-11(17)14-10(16-15-9)8-6-4-5-7-13-8/h4-7H,1-3H3,(H,14,16,17)
InChIKeyBKYDAOMCKYVDLQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.52
Rot. Bonds1

About 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one

6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one (PubChem CID 135840397) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
PubChem CID135840397
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-12(2,3)9-11(17)14-10(16-15-9)8-6-4-5-7-13-8/h4-7H,1-3H3,(H,14,16,17)
InChIKeyBKYDAOMCKYVDLQ-UHFFFAOYSA-N
XLogP1.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
6-(3-bromothiophen-2-yl)-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
CID 135727087
4-hydroxy-5-propan-2-yl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 63612290
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847
5-hydroxy-N-(4-methylphenyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593198
2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine
CID 91111848
6-tert-butyl-3-(2-methylanilino)-4H-1,2,4-triazin-5-one
CID 135416785
5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135473160
5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
CID 500949
2,6-dimethyl-3-pyridin-2-yl-1H-pyridin-4-one
CID 18946451
5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136715427
6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one
CID 135561248

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one (CID 135840397) is 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one is CC(C)(C)c1nnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
The InChIKey is BKYDAOMCKYVDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-12(2,3)9-11(17)14-10(16-15-9)8-6-4-5-7-13-8/h4-7H,1-3H3,(H,14,16,17).
What are the key properties of 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135840397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).