2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol

C12H20N8O — CID 80902539

IUPAC2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C12H20N8O/c1-3-12(4-2,8-21)18-9-15-10(19-13)17-11(16-9)20-7-5-6-14-20/h5-7,21H,3-4,8,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyUHWOVTLUZDTBFQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.31
Rot. Bonds7

About 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol

2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 80902539) has the molecular formula C12H20N8O and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID80902539
Molecular FormulaC12H20N8O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C12H20N8O/c1-3-12(4-2,8-21)18-9-15-10(19-13)17-11(16-9)20-7-5-6-14-20/h5-7,21H,3-4,8,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyUHWOVTLUZDTBFQ-UHFFFAOYSA-N
XLogP0.31
TPSA126.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.31
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'}

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

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Launch Full Analysis

Related Compounds

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866465
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 80898546
(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80921572
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80904002
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide
CID 80901085
N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
2-N-tert-butyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80767982
4-hydrazinyl-N-methyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80899158
N-ethyl-4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80900789

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 80902539) is 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol is CCC(CC)(CO)Nc1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is UHWOVTLUZDTBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O/c1-3-12(4-2,8-21)18-9-15-10(19-13)17-11(16-9)20-7-5-6-14-20/h5-7,21H,3-4,8,13H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 292.35 g/mol, XLogP of 0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 80902539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).