4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine

C11H12N8S — CID 80914496

IUPAC4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2ccsc2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H12N8S/c12-18-10-15-9(14-5-8-1-4-20-6-8)16-11(17-10)19-3-2-13-7-19/h1-4,6-7H,5,12H2,(H2,14,15,16,17,18)
InChIKeyWFXKVAJVCMFWAI-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.02
Rot. Bonds5

About 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 80914496) has the molecular formula C11H12N8S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID80914496
Molecular FormulaC11H12N8S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2ccsc2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H12N8S/c12-18-10-15-9(14-5-8-1-4-20-6-8)16-11(17-10)19-3-2-13-7-19/h1-4,6-7H,5,12H2,(H2,14,15,16,17,18)
InChIKeyWFXKVAJVCMFWAI-UHFFFAOYSA-N
XLogP1.02
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80813614
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80902986
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
4-hydrazinyl-6-imidazol-1-yl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazin-2-amine
CID 80906593
6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
CID 80833674
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 80914978
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906719
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
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-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine (CID 80914496) is 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine is NNc1nc(NCc2ccsc2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is WFXKVAJVCMFWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8S/c12-18-10-15-9(14-5-8-1-4-20-6-8)16-11(17-10)19-3-2-13-7-19/h1-4,6-7H,5,12H2,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 288.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80914496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).