5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine

C11H13N5 — CID 114383127

IUPAC5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCc2ccncc2)nc1C
InChIInChI=1S/C11H13N5/c1-8-9(2)15-16-11(14-8)13-7-10-3-5-12-6-4-10/h3-6H,7H2,1-2H3,(H,13,14,16)
InChIKeyLZBIUYNQFIOSEP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.50
Rot. Bonds3

About 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 114383127) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID114383127
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCc2ccncc2)nc1C
InChIInChI=1S/C11H13N5/c1-8-9(2)15-16-11(14-8)13-7-10-3-5-12-6-4-10/h3-6H,7H2,1-2H3,(H,13,14,16)
InChIKeyLZBIUYNQFIOSEP-UHFFFAOYSA-N
XLogP1.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128
4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
CID 114448052
N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 155949893
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
3-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 60734444
5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 25275557
4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one
CID 23412465
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
3-N-benzyl-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947704
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 114448176

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine (CID 114383127) is 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine is Cc1nnc(NCc2ccncc2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is LZBIUYNQFIOSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8-9(2)15-16-11(14-8)13-7-10-3-5-12-6-4-10/h3-6H,7H2,1-2H3,(H,13,14,16).
What are the key properties of 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 215.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 114383127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).