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

C12H22N6O2 — CID 80915857

IUPAC1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCOc1nc(NN)nc(NCC2(O)CCC(C)CC2)n1
InChIInChI=1S/C12H22N6O2/c1-8-3-5-12(19,6-4-8)7-14-9-15-10(18-13)17-11(16-9)20-2/h8,19H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyWMJTXIAQRGXIGY-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.52
Rot. Bonds5

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

1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 80915857) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID80915857
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCOc1nc(NN)nc(NCC2(O)CCC(C)CC2)n1
InChIInChI=1S/C12H22N6O2/c1-8-3-5-12(19,6-4-8)7-14-9-15-10(18-13)17-11(16-9)20-2/h8,19H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyWMJTXIAQRGXIGY-UHFFFAOYSA-N
XLogP0.52
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.52
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-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 80920706
4-ethyl-1-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80827568
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810
1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80909130
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80829131
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
1-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 80909114
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80915853
4-hydrazinyl-6-methoxy-N-[(2-methyloxolan-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80929199
N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 114133549
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80909785
N'-cyclopropyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80918954

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 80915857) is 1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol is COc1nc(NN)nc(NCC2(O)CCC(C)CC2)n1.
What is the InChIKey of 1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is WMJTXIAQRGXIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-8-3-5-12(19,6-4-8)7-14-9-15-10(18-13)17-11(16-9)20-2/h8,19H,3-7,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 282.35 g/mol, XLogP of 0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 80915857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).