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

C9H14N8O — CID 80944977

IUPAC3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESNNc1nc(NCCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C9H14N8O/c10-16-8-13-7(12-2-1-5-18)14-9(15-8)17-4-3-11-6-17/h3-4,6,18H,1-2,5,10H2,(H2,12,13,14,15,16)
InChIKeyAPXDMOXMHHVJPD-UHFFFAOYSA-N
MW250.27 g/mol
LogP-0.86
Rot. Bonds6

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

3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 80944977) has the molecular formula C9H14N8O and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID80944977
Molecular FormulaC9H14N8O
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESNNc1nc(NCCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C9H14N8O/c10-16-8-13-7(12-2-1-5-18)14-9(15-8)17-4-3-11-6-17/h3-4,6,18H,1-2,5,10H2,(H2,12,13,14,15,16)
InChIKeyAPXDMOXMHHVJPD-UHFFFAOYSA-N
XLogP-0.86
TPSA126.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324013
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80921833
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
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-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,5-triazin-2-amine
CID 106412483
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80900930
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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 80944977) is 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol is NNc1nc(NCCCO)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is APXDMOXMHHVJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8O/c10-16-8-13-7(12-2-1-5-18)14-9(15-8)17-4-3-11-6-17/h3-4,6,18H,1-2,5,10H2,(H2,12,13,14,15,16).
What are the key properties of 3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 250.27 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 9 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]propan-1-ol is sourced from PubChem (CID 80944977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).