1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol

C13H24N6O2 — CID 80909130

IUPAC1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCCOc1nc(NN)nc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C13H24N6O2/c1-3-21-12-17-10(16-11(18-12)19-14)15-8-13(20)6-4-5-9(2)7-13/h9,20H,3-8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyWZZJPZDAIQQDSP-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.91
Rot. Bonds6

About 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 80909130) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID80909130
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCCOc1nc(NN)nc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C13H24N6O2/c1-3-21-12-17-10(16-11(18-12)19-14)15-8-13(20)6-4-5-9(2)7-13/h9,20H,3-8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyWZZJPZDAIQQDSP-UHFFFAOYSA-N
XLogP0.91
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
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'}

Analyze 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80909785
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842897
1-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 80909114
1-[[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80915152
1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915857
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63962757
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 115355176
1-[[(6-ethoxy-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65118858
4-ethyl-1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 80920706
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80915853
3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 114148716

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 80909130) is 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is CCOc1nc(NN)nc(NCC2(O)CCCC(C)C2)n1.
What is the InChIKey of 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is WZZJPZDAIQQDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-3-21-12-17-10(16-11(18-12)19-14)15-8-13(20)6-4-5-9(2)7-13/h9,20H,3-8,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 296.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 80909130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).