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

C11H18N4O — CID 114448388

IUPAC5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC2CCCCO2)nc1C
InChIInChI=1S/C11H18N4O/c1-8-9(2)14-15-11(13-8)12-7-10-5-3-4-6-16-10/h10H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyMPDQIKQRXSFAEN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.47
Rot. Bonds3

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

5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 114448388) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID114448388
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC2CCCCO2)nc1C
InChIInChI=1S/C11H18N4O/c1-8-9(2)14-15-11(13-8)12-7-10-5-3-4-6-16-10/h10H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyMPDQIKQRXSFAEN-UHFFFAOYSA-N
XLogP1.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-N-(oxan-2-ylmethyl)-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

3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059
3-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277519
5-N-tert-butyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944587
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
4-N-cyclohexyl-6-methyl-5-nitro-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 51894223
4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine
CID 56869794
5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623
5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine
CID 107296743
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine
CID 42526363

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine (CID 114448388) is 5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine is Cc1nnc(NCC2CCCCO2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is MPDQIKQRXSFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-9(2)14-15-11(13-8)12-7-10-5-3-4-6-16-10/h10H,3-7H2,1-2H3,(H,12,13,15).
What are the key properties of 5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 1.47, 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-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).