4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine

C12H14N8S — CID 80902986

IUPAC4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(CNc2nc(NN)nc(-n3ccnc3)n2)s1
InChIInChI=1S/C12H14N8S/c1-8-2-3-9(21-8)6-15-10-16-11(19-13)18-12(17-10)20-5-4-14-7-20/h2-5,7H,6,13H2,1H3,(H2,15,16,17,18,19)
InChIKeyBYWSOBQMJOITMB-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.32
Rot. Bonds5

About 4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine

4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 80902986) has the molecular formula C12H14N8S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID80902986
Molecular FormulaC12H14N8S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(CNc2nc(NN)nc(-n3ccnc3)n2)s1
InChIInChI=1S/C12H14N8S/c1-8-2-3-9(21-8)6-15-10-16-11(19-13)18-12(17-10)20-5-4-14-7-20/h2-5,7H,6,13H2,1H3,(H2,15,16,17,18,19)
InChIKeyBYWSOBQMJOITMB-UHFFFAOYSA-N
XLogP1.32
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.32
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-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80914496
4-hydrazinyl-6-imidazol-1-yl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazin-2-amine
CID 80906593
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
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 80914978
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
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80900930
4-hydrazinyl-6-imidazol-1-yl-N-(2-methylphenyl)-1,3,5-triazin-2-amine
CID 80912665

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine (CID 80902986) is 4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine is Cc1ccc(CNc2nc(NN)nc(-n3ccnc3)n2)s1.
What is the InChIKey of 4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is BYWSOBQMJOITMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8S/c1-8-2-3-9(21-8)6-15-10-16-11(19-13)18-12(17-10)20-5-4-14-7-20/h2-5,7H,6,13H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine?
4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 302.37 g/mol, XLogP of 1.32, 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-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80902986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).