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

C10H14N8 — CID 80918567

IUPACN-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NC2CCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H14N8/c11-17-9-14-8(13-7-2-1-3-7)15-10(16-9)18-5-4-12-6-18/h4-7H,1-3,11H2,(H2,13,14,15,16,17)
InChIKeySVAJJCKLAWJFEG-UHFFFAOYSA-N
MW246.28 g/mol
LogP0.31
Rot. Bonds4

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

N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80918567) has the molecular formula C10H14N8 and a molecular weight of 246.28 g/mol. Its IUPAC name is N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80918567
Molecular FormulaC10H14N8
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NC2CCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H14N8/c11-17-9-14-8(13-7-2-1-3-7)15-10(16-9)18-5-4-12-6-18/h4-7H,1-3,11H2,(H2,13,14,15,16,17)
InChIKeySVAJJCKLAWJFEG-UHFFFAOYSA-N
XLogP0.31
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 50.31
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-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80938412
4-hydrazinyl-6-imidazol-1-yl-N-(3-methylcyclobutyl)-1,3,5-triazin-2-amine
CID 113467607
N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885
2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80826910
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62863362
[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927857
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80855550
[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
CID 80907359
[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898508

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80918567) is N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is NNc1nc(NC2CCC2)nc(-n2ccnc2)n1.
What is the InChIKey of N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is SVAJJCKLAWJFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8/c11-17-9-14-8(13-7-2-1-3-7)15-10(16-9)18-5-4-12-6-18/h4-7H,1-3,11H2,(H2,13,14,15,16,17).
What are the key properties of N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 246.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80918567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).