N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine

C13H14N8 — CID 80911395

IUPACN-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H14N8/c14-20-12-17-11(16-8-10-4-2-1-3-5-10)18-13(19-12)21-7-6-15-9-21/h1-7,9H,8,14H2,(H2,16,17,18,19,20)
InChIKeyUQRGAIFLXWEDQA-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.95
Rot. Bonds5

About N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine

N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80911395) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80911395
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC NameN-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H14N8/c14-20-12-17-11(16-8-10-4-2-1-3-5-10)18-13(19-12)21-7-6-15-9-21/h1-7,9H,8,14H2,(H2,16,17,18,19,20)
InChIKeyUQRGAIFLXWEDQA-UHFFFAOYSA-N
XLogP0.95
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80914496
(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906719
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80902986
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80900930
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
4-hydrazinyl-6-imidazol-1-yl-N-(2-methylphenyl)-1,3,5-triazin-2-amine
CID 80912665
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 80914978

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80911395) is N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is NNc1nc(NCc2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UQRGAIFLXWEDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c14-20-12-17-11(16-8-10-4-2-1-3-5-10)18-13(19-12)21-7-6-15-9-21/h1-7,9H,8,14H2,(H2,16,17,18,19,20).
What are the key properties of N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80911395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).