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

C12H19N7O — CID 80913168

IUPAC[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)CC(C)Oc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H19N7O/c1-8(2)6-9(3)20-12-16-10(18-13)15-11(17-12)19-5-4-14-7-19/h4-5,7-9H,6,13H2,1-3H3,(H,15,16,17,18)
InChIKeyZGCBMWJEJBKEFQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.16
Rot. Bonds6

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

[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80913168) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is [4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80913168
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)CC(C)Oc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H19N7O/c1-8(2)6-9(3)20-12-16-10(18-13)15-11(17-12)19-5-4-14-7-19/h4-5,7-9H,6,13H2,1-3H3,(H,15,16,17,18)
InChIKeyZGCBMWJEJBKEFQ-UHFFFAOYSA-N
XLogP1.16
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.16
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-(4-methylpentan-2-yloxy)-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-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989481
(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80906950
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
CID 80925355
(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906719
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80898376
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
N-ethyl-4-imidazol-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80871046
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106347620
[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
CID 80907359
4-but-3-yn-2-yloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106795382
N-methyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80859552
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860

Frequently Asked Questions

What is the IUPAC name of [4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine (CID 80913168) is [4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine is CC(C)CC(C)Oc1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of [4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is ZGCBMWJEJBKEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-8(2)6-9(3)20-12-16-10(18-13)15-11(17-12)19-5-4-14-7-19/h4-5,7-9H,6,13H2,1-3H3,(H,15,16,17,18).
What are the key properties of [4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine?
[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 277.33 g/mol, XLogP of 1.16, 6 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-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80913168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).