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

C12H20N8 — CID 80908114

IUPACN-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCC(CC)Nc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H20N8/c1-3-5-9(4-2)15-10-16-11(19-13)18-12(17-10)20-7-6-14-8-20/h6-9H,3-5,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFTLXDLFCHMOATO-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.33
Rot. Bonds7

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

N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80908114) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80908114
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCC(CC)Nc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H20N8/c1-3-5-9(4-2)15-10-16-11(19-13)18-12(17-10)20-7-6-14-8-20/h6-9H,3-5,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFTLXDLFCHMOATO-UHFFFAOYSA-N
XLogP1.33
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.33
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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Launch Full Analysis

Related Compounds

3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol
CID 106163591
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80773571
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106347620
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294518
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 80914978
(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80906950
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80908114) is N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is CCCC(CC)Nc1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FTLXDLFCHMOATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-3-5-9(4-2)15-10-16-11(19-13)18-12(17-10)20-7-6-14-8-20/h6-9H,3-5,13H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 276.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80908114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).