N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine

C13H17N5 — CID 114786832

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCCc1cccnc1CNc1nnc(C)c(C)n1
InChIInChI=1S/C13H17N5/c1-4-11-6-5-7-14-12(11)8-15-13-16-9(2)10(3)17-18-13/h5-7H,4,8H2,1-3H3,(H,15,16,18)
InChIKeyQUPHJVYXHLICTL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.06
Rot. Bonds4

About N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine

N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 114786832) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID114786832
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCCc1cccnc1CNc1nnc(C)c(C)n1
InChIInChI=1S/C13H17N5/c1-4-11-6-5-7-14-12(11)8-15-13-16-9(2)10(3)17-18-13/h5-7H,4,8H2,1-3H3,(H,15,16,18)
InChIKeyQUPHJVYXHLICTL-UHFFFAOYSA-N
XLogP2.06
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 82749017
N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82732413
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine
CID 114600732
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733516
2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554285
5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82748895
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82745641
2,3-diethylpyridine
CID 14747123
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 82751584

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 114786832) is N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine is CCc1cccnc1CNc1nnc(C)c(C)n1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is QUPHJVYXHLICTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-4-11-6-5-7-14-12(11)8-15-13-16-9(2)10(3)17-18-13/h5-7H,4,8H2,1-3H3,(H,15,16,18).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 243.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114786832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).