4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C12H18N8O — CID 106424786

IUPAC4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2ccno2)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18N8O/c13-19-11-16-10(14-8-9-4-5-15-21-9)17-12(18-11)20-6-2-1-3-7-20/h4-5H,1-3,6-8,13H2,(H2,14,16,17,18,19)
InChIKeyPNDOJTFIZVDMJH-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.75
Rot. Bonds5

About 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106424786) has the molecular formula C12H18N8O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106424786
Molecular FormulaC12H18N8O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2ccno2)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18N8O/c13-19-11-16-10(14-8-9-4-5-15-21-9)17-12(18-11)20-6-2-1-3-7-20/h4-5H,1-3,6-8,13H2,(H2,14,16,17,18,19)
InChIKeyPNDOJTFIZVDMJH-UHFFFAOYSA-N
XLogP0.75
TPSA118.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.75
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'}

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Related Compounds

2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106424603
4-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80906477
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899003
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80942778
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915279
4-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80929061
5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324353
2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83206301
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855156

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 106424786) is 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is NNc1nc(NCc2ccno2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PNDOJTFIZVDMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O/c13-19-11-16-10(14-8-9-4-5-15-21-9)17-12(18-11)20-6-2-1-3-7-20/h4-5H,1-3,6-8,13H2,(H2,14,16,17,18,19).
What are the key properties of 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 290.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106424786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).