2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide

C11H17N9O — CID 106347620

IUPAC2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc(NN)nc(-n2ccnc2)n1)C(N)=O
InChIInChI=1S/C11H17N9O/c1-6(2)7(8(12)21)15-9-16-10(19-13)18-11(17-9)20-4-3-14-5-20/h3-7H,13H2,1-2H3,(H2,12,21)(H2,15,16,17,18,19)
InChIKeyZGMOOKVITXHORH-UHFFFAOYSA-N
MW291.32 g/mol
LogP-0.74
Rot. Bonds6

About 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide

2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide (PubChem CID 106347620) has the molecular formula C11H17N9O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
PubChem CID106347620
Molecular FormulaC11H17N9O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc(NN)nc(-n2ccnc2)n1)C(N)=O
InChIInChI=1S/C11H17N9O/c1-6(2)7(8(12)21)15-9-16-10(19-13)18-11(17-9)20-4-3-14-5-20/h3-7H,13H2,1-2H3,(H2,12,21)(H2,15,16,17,18,19)
InChIKeyZGMOOKVITXHORH-UHFFFAOYSA-N
XLogP-0.74
TPSA149.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80898376
N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80908114
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol
CID 106163591
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80913168
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
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-(3-methylcyclobutyl)-1,3,5-triazin-2-amine
CID 113467607
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106346837

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide (CID 106347620) is 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide is CC(C)C(Nc1nc(NN)nc(-n2ccnc2)n1)C(N)=O.
What is the InChIKey of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The InChIKey is ZGMOOKVITXHORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9O/c1-6(2)7(8(12)21)15-9-16-10(19-13)18-11(17-9)20-4-3-14-5-20/h3-7H,13H2,1-2H3,(H2,12,21)(H2,15,16,17,18,19).
What are the key properties of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide has a molecular weight of 291.32 g/mol, XLogP of -0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106347620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).