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

C12H21N7O2 — CID 80925311

IUPAC3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESNNc1nc(NCC2CC(O)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N7O2/c13-18-11-15-10(14-7-8-5-9(20)6-8)16-12(17-11)19-1-3-21-4-2-19/h8-9,20H,1-7,13H2,(H2,14,15,16,17,18)
InChIKeyQAVBTTSHONWVOM-UHFFFAOYSA-N
MW295.35 g/mol
LogP-0.82
Rot. Bonds5

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

3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 80925311) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
PubChem CID80925311
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESNNc1nc(NCC2CC(O)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N7O2/c13-18-11-15-10(14-7-8-5-9(20)6-8)16-12(17-11)19-1-3-21-4-2-19/h8-9,20H,1-7,13H2,(H2,14,15,16,17,18)
InChIKeyQAVBTTSHONWVOM-UHFFFAOYSA-N
XLogP-0.82
TPSA121.45 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
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 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082
[1-(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 115967487
N-butyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931737
N-(2,2-dimethylbutyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 103466763
4-hydrazinyl-N-(3-methylbutyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931558
4-hydrazinyl-N-(4-methylpentyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80904883
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80898859
3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 80921761
4-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80899693
N-(cyclobutylmethyl)-4-hydrazinyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80905403
N-(3,3-dimethylbutan-2-yl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 104830689
N-butyl-4-hydrazinyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80916546

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol (CID 80925311) is 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol is NNc1nc(NCC2CC(O)C2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is QAVBTTSHONWVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c13-18-11-15-10(14-7-8-5-9(20)6-8)16-12(17-11)19-1-3-21-4-2-19/h8-9,20H,1-7,13H2,(H2,14,15,16,17,18).
What are the key properties of 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol?
3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 295.35 g/mol, XLogP of -0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80925311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).