N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide

C10H16N6O2 — CID 3237464

IUPACN'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
SMILESCOc1nc(C(N)=NO)nc(N2CCCCC2)n1
InChIInChI=1S/C10H16N6O2/c1-18-10-13-8(7(11)15-17)12-9(14-10)16-5-3-2-4-6-16/h17H,2-6H2,1H3,(H2,11,15)
InChIKeyNGYYAZPHRXDUDE-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.04
Rot. Bonds3

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

N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide (PubChem CID 3237464) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
PubChem CID3237464
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC NameN'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
SMILESCOc1nc(C(N)=NO)nc(N2CCCCC2)n1
InChIInChI=1S/C10H16N6O2/c1-18-10-13-8(7(11)15-17)12-9(14-10)16-5-3-2-4-6-16/h17H,2-6H2,1H3,(H2,11,15)
InChIKeyNGYYAZPHRXDUDE-UHFFFAOYSA-N
XLogP-0.04
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.04
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

N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 135544634
N'-hydroxy-4,6-dipiperidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 135517604
CID 3241403
CID 3241403
N'-hydroxy-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide
CID 135517568
2-Piperidinyl-4-methoxy-6-dinitromethyl-1,3,5-triazine
CID 125485716
(NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
CID 137300558
N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 3489807
CID 4916508
CID 4916508
4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
CID 135413872
N-Hydroxy-4-methoxy-6-(1-pyrrolidinyl)-1,3,5-triazine-2-carboximidamide
CID 135517564
4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide
CID 135517670
CID 135681167
CID 135681167

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide (CID 3237464) is N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide is COc1nc(C(N)=NO)nc(N2CCCCC2)n1.
What is the InChIKey of N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide?
The InChIKey is NGYYAZPHRXDUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-18-10-13-8(7(11)15-17)12-9(14-10)16-5-3-2-4-6-16/h17H,2-6H2,1H3,(H2,11,15).
What are the key properties of N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide?
N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 3237464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).