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

C11H18N8O2 — CID 106163591

IUPAC3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C11H18N8O2/c1-21-6-8(2-5-20)14-9-15-10(18-12)17-11(16-9)19-4-3-13-7-19/h3-4,7-8,20H,2,5-6,12H2,1H3,(H2,14,15,16,17,18)
InChIKeyNCWHKGJGYQCVBH-UHFFFAOYSA-N
MW294.32 g/mol
LogP-0.85
Rot. Bonds8

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

3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol (PubChem CID 106163591) has the molecular formula C11H18N8O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol
PubChem CID106163591
Molecular FormulaC11H18N8O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C11H18N8O2/c1-21-6-8(2-5-20)14-9-15-10(18-12)17-11(16-9)19-4-3-13-7-19/h3-4,7-8,20H,2,5-6,12H2,1H3,(H2,14,15,16,17,18)
InChIKeyNCWHKGJGYQCVBH-UHFFFAOYSA-N
XLogP-0.85
TPSA136.03 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80908114
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)sulfanyl]ethanol
CID 80921833
6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80827415
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106347620
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
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294518
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80898376
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80773571
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol (CID 106163591) is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol is COCC(CCO)Nc1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is NCWHKGJGYQCVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8O2/c1-21-6-8(2-5-20)14-9-15-10(18-12)17-11(16-9)19-4-3-13-7-19/h3-4,7-8,20H,2,5-6,12H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol?
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol has a molecular weight of 294.32 g/mol, XLogP of -0.85, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106163591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).