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

C12H19N7O — CID 135517567

IUPACN'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
SMILESN/C(=N/O)c1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H19N7O/c13-9(17-20)10-14-11(18-5-1-2-6-18)16-12(15-10)19-7-3-4-8-19/h20H,1-8H2,(H2,13,17)
InChIKeyLYTDARULBIWMSD-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.17
Rot. Bonds3

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

N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide (PubChem CID 135517567) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
PubChem CID135517567
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
SMILESN/C(=N/O)c1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H19N7O/c13-9(17-20)10-14-11(18-5-1-2-6-18)16-12(15-10)19-7-3-4-8-19/h20H,1-8H2,(H2,13,17)
InChIKeyLYTDARULBIWMSD-UHFFFAOYSA-N
XLogP0.17
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.17
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-Dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 714273
s-Triazine, 2,4-dipyrrolidino-6-methyl-
CID 213568
N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 4012150
N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 3489807
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
CID 135772055
CID 135772055
N-Hydroxy-4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carboximidamide
CID 135788802
N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 135788803
CID 4918511
CID 4918511
4-Methyl-6-(pyrrolidin-1-ylmethyl)-1,3,5-triazin-2-amine
CID 101449768
4-(Aminomethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 130568346

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide (CID 135517567) is N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide is N/C(=N/O)c1nc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide?
The InChIKey is LYTDARULBIWMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c13-9(17-20)10-14-11(18-5-1-2-6-18)16-12(15-10)19-7-3-4-8-19/h20H,1-8H2,(H2,13,17).
What are the key properties of N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide?
N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide has a molecular weight of 277.33 g/mol, XLogP of 0.17, 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-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 135517567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).