N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide

C14H23N7O — CID 135736252

IUPACN'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide
SMILESN/C(=N\O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H23N7O/c15-11(19-22)12-16-13(20-7-3-1-4-8-20)18-14(17-12)21-9-5-2-6-10-21/h22H,1-10H2,(H2,15,19)
InChIKeyDJTPXVULNONQRD-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.95
Rot. Bonds3

About N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide

N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide (PubChem CID 135736252) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide
PubChem CID135736252
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC NameN'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide
SMILESN/C(=N\O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H23N7O/c15-11(19-22)12-16-13(20-7-3-1-4-8-20)18-14(17-12)21-9-5-2-6-10-21/h22H,1-10H2,(H2,15,19)
InChIKeyDJTPXVULNONQRD-UHFFFAOYSA-N
XLogP0.95
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-Di(piperidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 623303
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-
CID 207511
N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 135544634
s-Triazine, 2-amino-4-(piperidinomethyl)-4-piperidino-
CID 210894
s-Triazine, 2,4-dipiperidino-6-methyl-
CID 33386
N'-hydroxy-4,6-dipiperidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 135517604
[4-methoxy-6-(1-piperidinyl)-1H-1,3,5-triazin-2-ylidene]-nitrosomethanamine
CID 3237464
CID 3241403
CID 3241403
4-[(4-Ethylpiperazino)methyl]-6-piperidino-1,3,5-triazin-2-amine
CID 16459351
N'-hydroxy-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide
CID 135517568
2-Hydroxylamino-4,6-dipiperidino-s-triazine
CID 624135
4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
CID 135413872

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide (CID 135736252) is N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide is N/C(=N\O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide?
The InChIKey is DJTPXVULNONQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c15-11(19-22)12-16-13(20-7-3-1-4-8-20)18-14(17-12)21-9-5-2-6-10-21/h22H,1-10H2,(H2,15,19).
What are the key properties of N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide?
N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide has a molecular weight of 305.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,6-di(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 135736252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).