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

C12H14N8O — CID 80900930

IUPACN-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCCc2ccco2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H14N8O/c13-19-11-16-10(15-4-3-9-2-1-7-21-9)17-12(18-11)20-6-5-14-8-20/h1-2,5-8H,3-4,13H2,(H2,15,16,17,18,19)
InChIKeySFMCSQKOCLVKMJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.59
Rot. Bonds6

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

N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80900930) has the molecular formula C12H14N8O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80900930
Molecular FormulaC12H14N8O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCCc2ccco2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H14N8O/c13-19-11-16-10(15-4-3-9-2-1-7-21-9)17-12(18-11)20-6-5-14-8-20/h1-2,5-8H,3-4,13H2,(H2,15,16,17,18,19)
InChIKeySFMCSQKOCLVKMJ-UHFFFAOYSA-N
XLogP0.59
TPSA119.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.59
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 N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-hydrazinyl-6-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,5-triazin-2-amine
CID 106412483
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
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-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
N-ethyl-4-(furan-2-ylmethoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80844168
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-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80914496
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
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62864444

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80900930) is N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is NNc1nc(NCCc2ccco2)nc(-n2ccnc2)n1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is SFMCSQKOCLVKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O/c13-19-11-16-10(15-4-3-9-2-1-7-21-9)17-12(18-11)20-6-5-14-8-20/h1-2,5-8H,3-4,13H2,(H2,15,16,17,18,19).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 286.30 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80900930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).