N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine

C11H22N8O — CID 80911433

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C11H22N8O/c1-18-4-5-19(2)8(7-18)6-13-9-14-10(17-12)16-11(15-9)20-3/h8H,4-7,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyMIRMRYPGMGKDNB-UHFFFAOYSA-N
MW282.35 g/mol
LogP-1.18
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80911433) has the molecular formula C11H22N8O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80911433
Molecular FormulaC11H22N8O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C11H22N8O/c1-18-4-5-19(2)8(7-18)6-13-9-14-10(17-12)16-11(15-9)20-3/h8H,4-7,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyMIRMRYPGMGKDNB-UHFFFAOYSA-N
XLogP-1.18
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80838442
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
4-hydrazinyl-6-methoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 80908078
N-[(4-ethylmorpholin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114401570
4-chloro-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-1,3,5-triazin-2-amine
CID 62858154
3-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138779
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66278571
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975078
6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine
CID 80647172
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943261

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 80911433) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NN)nc(NCC2CN(C)CCN2C)n1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is MIRMRYPGMGKDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N8O/c1-18-4-5-19(2)8(7-18)6-13-9-14-10(17-12)16-11(15-9)20-3/h8H,4-7,12H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 282.35 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80911433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).