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

C12H19N5 — CID 107489073

IUPAC5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCC2=CCNCC2)nc1C
InChIInChI=1S/C12H19N5/c1-9-10(2)16-17-12(15-9)14-8-5-11-3-6-13-7-4-11/h3,13H,4-8H2,1-2H3,(H,14,15,17)
InChIKeyFOHKKBLKPGHJPB-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.21
Rot. Bonds4

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

5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 107489073) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine
PubChem CID107489073
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCC2=CCNCC2)nc1C
InChIInChI=1S/C12H19N5/c1-9-10(2)16-17-12(15-9)14-8-5-11-3-6-13-7-4-11/h3,13H,4-8H2,1-2H3,(H,14,15,17)
InChIKeyFOHKKBLKPGHJPB-UHFFFAOYSA-N
XLogP1.21
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine
CID 107489063
4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489508
4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489048
2,6-dimethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488661
4,6-dimethyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488718
6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile
CID 107488727
N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448450
1,3-dimethyl-4-nitro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazol-5-amine
CID 107489215
6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide
CID 107489464
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 23349917
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
3,3-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butane-1-sulfonamide
CID 107488249

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine (CID 107489073) is 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine is Cc1nnc(NCCC2=CCNCC2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is FOHKKBLKPGHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9-10(2)16-17-12(15-9)14-8-5-11-3-6-13-7-4-11/h3,13H,4-8H2,1-2H3,(H,14,15,17).
What are the key properties of 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine?
5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 233.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 107489073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).