2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine

C9H13N7O — CID 557838

IUPAC2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCOc1nc(N=[N+]=[N-])nc(N2CCCCC2)n1
InChIInChI=1S/C9H13N7O/c1-17-9-12-7(14-15-10)11-8(13-9)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyVFSGQLBIHSCQRJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.81
Rot. Bonds3

About 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine

2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 557838) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
PubChem CID557838
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCOc1nc(N=[N+]=[N-])nc(N2CCCCC2)n1
InChIInChI=1S/C9H13N7O/c1-17-9-12-7(14-15-10)11-8(13-9)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyVFSGQLBIHSCQRJ-UHFFFAOYSA-N
XLogP1.81
TPSA99.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine
CID 4550609
2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 143257916
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 729324
(1R)-1-[(3R)-1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 124733029
N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide
CID 6323887
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122058843
1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 133397690
4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
CID 133344596
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
1-(4-imidazol-1-yl-6-methoxy-1,3,5-triazin-2-yl)azepane
CID 30106396
tritert-butyl 10-[4-azido-6-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]-1,3,5-triazin-2-yl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 53387529

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine (CID 557838) is 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine is COc1nc(N=[N+]=[N-])nc(N2CCCCC2)n1.
What is the InChIKey of 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is VFSGQLBIHSCQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-17-9-12-7(14-15-10)11-8(13-9)16-5-3-2-4-6-16/h2-6H2,1H3.
What are the key properties of 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 235.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 557838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).