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

C12H24N6O2 — CID 106294543

IUPAC1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
SMILESCCCOc1nc(NN)nc(NCC(C)(O)CCC)n1
InChIInChI=1S/C12H24N6O2/c1-4-6-12(3,19)8-14-9-15-10(18-13)17-11(16-9)20-7-5-2/h19H,4-8,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyPFTDFTVOKCVDJG-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.91
Rot. Bonds9

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

1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol (PubChem CID 106294543) has the molecular formula C12H24N6O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
PubChem CID106294543
Molecular FormulaC12H24N6O2
Molecular Weight284.36 g/mol
Exact Mass284.20
IUPAC Name1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
SMILESCCCOc1nc(NN)nc(NCC(C)(O)CCC)n1
InChIInChI=1S/C12H24N6O2/c1-4-6-12(3,19)8-14-9-15-10(18-13)17-11(16-9)20-7-5-2/h19H,4-8,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyPFTDFTVOKCVDJG-UHFFFAOYSA-N
XLogP0.91
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249090
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
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-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
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-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol (CID 106294543) is 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol is CCCOc1nc(NN)nc(NCC(C)(O)CCC)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol?
The InChIKey is PFTDFTVOKCVDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2/c1-4-6-12(3,19)8-14-9-15-10(18-13)17-11(16-9)20-7-5-2/h19H,4-8,13H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol?
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol has a molecular weight of 284.36 g/mol, XLogP of 0.91, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106294543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).