6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one

C12H15N5O — CID 135561248

IUPAC6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(Nc2cccnc2)[nH]c1=O
InChIInChI=1S/C12H15N5O/c1-12(2,3)9-10(18)15-11(17-16-9)14-8-5-4-6-13-7-8/h4-7H,1-3H3,(H2,14,15,17,18)
InChIKeyTZLTURVCPVIAQE-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.60
Rot. Bonds2

About 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one

6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135561248) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one
PubChem CID135561248
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(Nc2cccnc2)[nH]c1=O
InChIInChI=1S/C12H15N5O/c1-12(2,3)9-10(18)15-11(17-16-9)14-8-5-4-6-13-7-8/h4-7H,1-3H3,(H2,14,15,17,18)
InChIKeyTZLTURVCPVIAQE-UHFFFAOYSA-N
XLogP1.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-3-(3-chloroanilino)-4H-1,2,4-triazin-5-one
CID 135468318
6-tert-butyl-3-(2-methylanilino)-4H-1,2,4-triazin-5-one
CID 135416785
6-tert-butyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one
CID 135561109
3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione
CID 10564182
6-tert-butyl-3-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135524398
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
3-(4-tert-butylanilino)-4H-1,2,4-triazin-5-one
CID 135880045
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one (CID 135561248) is 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one is CC(C)(C)c1nnc(Nc2cccnc2)[nH]c1=O.
What is the InChIKey of 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is TZLTURVCPVIAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-12(2,3)9-10(18)15-11(17-16-9)14-8-5-4-6-13-7-8/h4-7H,1-3H3,(H2,14,15,17,18).
What are the key properties of 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one?
6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 245.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(pyridin-3-ylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).