3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol

C10H20N6O3 — CID 80922470

IUPAC3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
SMILESCCCOc1nc(NN)nc(NCC(C)(O)CO)n1
InChIInChI=1S/C10H20N6O3/c1-3-4-19-9-14-7(13-8(15-9)16-11)12-5-10(2,18)6-17/h17-18H,3-6,11H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyCMCREJXFEVAOLI-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.90
Rot. Bonds8

About 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol

3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 80922470) has the molecular formula C10H20N6O3 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
PubChem CID80922470
Molecular FormulaC10H20N6O3
Molecular Weight272.31 g/mol
Exact Mass272.16
IUPAC Name3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
SMILESCCCOc1nc(NN)nc(NCC(C)(O)CO)n1
InChIInChI=1S/C10H20N6O3/c1-3-4-19-9-14-7(13-8(15-9)16-11)12-5-10(2,18)6-17/h17-18H,3-6,11H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyCMCREJXFEVAOLI-UHFFFAOYSA-N
XLogP-0.90
TPSA138.44 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 55
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 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol with MolForge

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Related Compounds

1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249090
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80911461
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478
4-hydrazinyl-N-(2-methoxypropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 102701967
3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 80921761
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911001

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol (CID 80922470) is 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol is CCCOc1nc(NN)nc(NCC(C)(O)CO)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is CMCREJXFEVAOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O3/c1-3-4-19-9-14-7(13-8(15-9)16-11)12-5-10(2,18)6-17/h17-18H,3-6,11H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol?
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 272.31 g/mol, XLogP of -0.90, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 80922470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).