2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol

C13H18N6O2 — CID 80902590

IUPAC2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
SMILESCOc1nc(NN)nc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C13H18N6O2/c1-21-13-16-11(18-14)15-12(17-13)19(7-8-20)9-10-5-3-2-4-6-10/h2-6,20H,7-9,14H2,1H3,(H,15,16,17,18)
InChIKeyHNTHMQZAONHKSC-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.16
Rot. Bonds7

About 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol

2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 80902590) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID80902590
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
SMILESCOc1nc(NN)nc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C13H18N6O2/c1-21-13-16-11(18-14)15-12(17-13)19(7-8-20)9-10-5-3-2-4-6-10/h2-6,20H,7-9,14H2,1H3,(H,15,16,17,18)
InChIKeyHNTHMQZAONHKSC-UHFFFAOYSA-N
XLogP0.16
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol with MolForge

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Related Compounds

N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80917380
N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
CID 80910625
2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
CID 107495412
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80895688
4-hydrazinyl-6-methoxy-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80906839
2-[benzyl-(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80908270
2-[(5-amino-6-methoxy-2-pyridinyl)-benzylamino]ethanol
CID 62114263
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80899174
2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol
CID 107541913
2-N-benzyl-6-hydrazinyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80917534
2-[[4,8-bis[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-2-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
CID 11285926
2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80904852

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol (CID 80902590) is 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol is COc1nc(NN)nc(N(CCO)Cc2ccccc2)n1.
What is the InChIKey of 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is HNTHMQZAONHKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-21-13-16-11(18-14)15-12(17-13)19(7-8-20)9-10-5-3-2-4-6-10/h2-6,20H,7-9,14H2,1H3,(H,15,16,17,18).
What are the key properties of 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 290.33 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 80902590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).