4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H19N9 — CID 80776233

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCN(C)C1CCN(c2nc(N)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C12H19N9/c1-19(2)9-3-5-20(6-4-9)11-16-10(13)17-12(18-11)21-8-14-7-15-21/h7-9H,3-6H2,1-2H3,(H2,13,16,17,18)
InChIKeyXLESJBDKZCOGDJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP-0.44
Rot. Bonds3

About 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80776233) has the molecular formula C12H19N9 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80776233
Molecular FormulaC12H19N9
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCN(C)C1CCN(c2nc(N)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C12H19N9/c1-19(2)9-3-5-20(6-4-9)11-16-10(13)17-12(18-11)21-8-14-7-15-21/h7-9H,3-6H2,1-2H3,(H2,13,16,17,18)
InChIKeyXLESJBDKZCOGDJ-UHFFFAOYSA-N
XLogP-0.44
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-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

[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757297
4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776487
1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822938
4-morpholin-4-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80767719
1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751563
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80751432
4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80816943
4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 80793675
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602
2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80826675
1-[1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]ethanol
CID 106836961
4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83223656

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80776233) is 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CN(C)C1CCN(c2nc(N)nc(-n3cncn3)n2)CC1.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is XLESJBDKZCOGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N9/c1-19(2)9-3-5-20(6-4-9)11-16-10(13)17-12(18-11)21-8-14-7-15-21/h7-9H,3-6H2,1-2H3,(H2,13,16,17,18).
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 289.35 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80776233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).