N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C13H14N8 — CID 115375472

IUPACN-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(-c2cncc(C)c2)nc(-n2cncn2)n1
InChIInChI=1S/C13H14N8/c1-3-16-12-18-11(10-4-9(2)5-14-6-10)19-13(20-12)21-8-15-7-17-21/h4-8H,3H2,1-2H3,(H,16,18,19,20)
InChIKeyFQWBZJQHQPFRLF-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.25
Rot. Bonds4

About N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 115375472) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID115375472
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC NameN-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(-c2cncc(C)c2)nc(-n2cncn2)n1
InChIInChI=1S/C13H14N8/c1-3-16-12-18-11(10-4-9(2)5-14-6-10)19-13(20-12)21-8-15-7-17-21/h4-8H,3H2,1-2H3,(H,16,18,19,20)
InChIKeyFQWBZJQHQPFRLF-UHFFFAOYSA-N
XLogP1.25
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 104739327
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136
N-ethyl-4-(5-methyl-3-pyridinyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115375541
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-ethyl-4-propan-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80885559
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
4-N-ethyl-2-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 104767007
4-N-ethyl-2-N-(4-methylpentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80810899
2-N-(2-chlorophenyl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 110190044
N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80860019
N-ethyl-4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-amine
CID 113297377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 115375472) is N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(-c2cncc(C)c2)nc(-n2cncn2)n1.
What is the InChIKey of N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is FQWBZJQHQPFRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c1-3-16-12-18-11(10-4-9(2)5-14-6-10)19-13(20-12)21-8-15-7-17-21/h4-8H,3H2,1-2H3,(H,16,18,19,20).
What are the key properties of N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115375472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).