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

C11H20N6O2 — CID 80921761

IUPAC3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESCCCOc1nc(NN)nc(NCC2CC(O)C2)n1
InChIInChI=1S/C11H20N6O2/c1-2-3-19-11-15-9(14-10(16-11)17-12)13-6-7-4-8(18)5-7/h7-8,18H,2-6,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyPXJFCFANJPIUDA-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.13
Rot. Bonds7

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

3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 80921761) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
PubChem CID80921761
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESCCCOc1nc(NN)nc(NCC2CC(O)C2)n1
InChIInChI=1S/C11H20N6O2/c1-2-3-19-11-15-9(14-10(16-11)17-12)13-6-7-4-8(18)5-7/h7-8,18H,2-6,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyPXJFCFANJPIUDA-UHFFFAOYSA-N
XLogP0.13
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.13
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 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 114148716
3-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138779
4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80926866
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 114112716
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
1-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 80909114

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol (CID 80921761) is 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol is CCCOc1nc(NN)nc(NCC2CC(O)C2)n1.
What is the InChIKey of 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is PXJFCFANJPIUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-2-3-19-11-15-9(14-10(16-11)17-12)13-6-7-4-8(18)5-7/h7-8,18H,2-6,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol?
3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80921761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).