[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine

C12H18N8 — CID 80927857

IUPAC[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC1CCCN(c2nc(NN)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C12H18N8/c1-9-3-2-5-19(7-9)11-15-10(18-13)16-12(17-11)20-6-4-14-8-20/h4,6,8-9H,2-3,5,7,13H2,1H3,(H,15,16,17,18)
InChIKeyAOLPXXGVHQCOFP-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.58
Rot. Bonds3

About [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine

[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80927857) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80927857
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC1CCCN(c2nc(NN)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C12H18N8/c1-9-3-2-5-19(7-9)11-15-10(18-13)16-12(17-11)20-6-4-14-8-20/h4,6,8-9H,2-3,5,7,13H2,1H3,(H,15,16,17,18)
InChIKeyAOLPXXGVHQCOFP-UHFFFAOYSA-N
XLogP0.58
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine 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

[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898508
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
4-hydrazinyl-6-imidazol-1-yl-N-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80938412
4-hydrazinyl-6-imidazol-1-yl-N-(3-methylcyclobutyl)-1,3,5-triazin-2-amine
CID 113467607
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 115563016
[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
CID 80907359
1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822955
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80912708
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475

Frequently Asked Questions

What is the IUPAC name of [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 80927857) is [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine is CC1CCCN(c2nc(NN)nc(-n3ccnc3)n2)C1.
What is the InChIKey of [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is AOLPXXGVHQCOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-9-3-2-5-19(7-9)11-15-10(18-13)16-12(17-11)20-6-4-14-8-20/h4,6,8-9H,2-3,5,7,13H2,1H3,(H,15,16,17,18).
What are the key properties of [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 274.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80927857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).