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

C12H24N6O2 — CID 106358418

IUPAC3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
SMILESCCCOc1nc(NN)nc(NC(CCO)C(C)C)n1
InChIInChI=1S/C12H24N6O2/c1-4-7-20-12-16-10(15-11(17-12)18-13)14-9(5-6-19)8(2)3/h8-9,19H,4-7,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyXGLDOIYSCRDXJU-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.76
Rot. Bonds9

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

3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol (PubChem CID 106358418) has the molecular formula C12H24N6O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
PubChem CID106358418
Molecular FormulaC12H24N6O2
Molecular Weight284.36 g/mol
Exact Mass284.20
IUPAC Name3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
SMILESCCCOc1nc(NN)nc(NC(CCO)C(C)C)n1
InChIInChI=1S/C12H24N6O2/c1-4-7-20-12-16-10(15-11(17-12)18-13)14-9(5-6-19)8(2)3/h8-9,19H,4-7,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyXGLDOIYSCRDXJU-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
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

N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911001
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358407
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
4-ethoxy-6-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80915837
3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 83180143
(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80923491
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911202
(2S)-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80922548
4-N-ethyl-2-N-(1-methoxy-3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827418
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol (CID 106358418) is 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol is CCCOc1nc(NN)nc(NC(CCO)C(C)C)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
The InChIKey is XGLDOIYSCRDXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2/c1-4-7-20-12-16-10(15-11(17-12)18-13)14-9(5-6-19)8(2)3/h8-9,19H,4-7,13H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol has a molecular weight of 284.36 g/mol, XLogP of 0.76, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106358418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).