N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine

C8H14N4 — CID 82414044

IUPACN-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine
SMILESCCNCc1nnc(C)nc1C
InChIInChI=1S/C8H14N4/c1-4-9-5-8-6(2)10-7(3)11-12-8/h9H,4-5H2,1-3H3
InChIKeyDESJAIFSCFFRNQ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.60
Rot. Bonds3

About N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine

N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine (PubChem CID 82414044) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine
PubChem CID82414044
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine
SMILESCCNCc1nnc(C)nc1C
InChIInChI=1S/C8H14N4/c1-4-9-5-8-6(2)10-7(3)11-12-8/h9H,4-5H2,1-3H3
InChIKeyDESJAIFSCFFRNQ-UHFFFAOYSA-N
XLogP0.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine (CID 82414044) is N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine is CCNCc1nnc(C)nc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine?
The InChIKey is DESJAIFSCFFRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-4-9-5-8-6(2)10-7(3)11-12-8/h9H,4-5H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine?
N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine has a molecular weight of 166.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2,4-triazin-6-yl)methyl]ethanamine is sourced from PubChem (CID 82414044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).