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

C9H14N6O2 — CID 135788802

IUPACN'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
SMILESCOc1nc(/C(N)=N/O)nc(N2CCCC2)n1
InChIInChI=1S/C9H14N6O2/c1-17-9-12-7(6(10)14-16)11-8(13-9)15-4-2-3-5-15/h16H,2-5H2,1H3,(H2,10,14)
InChIKeyCDEIDGKPVXZGTL-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.43
Rot. Bonds3

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

N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide (PubChem CID 135788802) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
PubChem CID135788802
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC NameN'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
SMILESCOc1nc(/C(N)=N/O)nc(N2CCCC2)n1
InChIInChI=1S/C9H14N6O2/c1-17-9-12-7(6(10)14-16)11-8(13-9)15-4-2-3-5-15/h16H,2-5H2,1H3,(H2,10,14)
InChIKeyCDEIDGKPVXZGTL-UHFFFAOYSA-N
XLogP-0.43
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.43
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-Methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 714436
N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 135544634
N'-hydroxy-4,6-di(pyrrolidin-1-yl)-1,3,5-triazine-2-carboximidamide
CID 135517567
[4-methoxy-6-(1-piperidinyl)-1H-1,3,5-triazin-2-ylidene]-nitrosomethanamine
CID 3237464
N'-hydroxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 4012150
N'-hydroxy-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide
CID 135517568
2-Methoxy-4-pyrrolidinyl-6-trinitromethyl-1,3,5-triazine
CID 129772274
(NZ)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
CID 137300560
4-Methoxy-6-(1-pyrrolidinylmethyl)-1,3,5-triazin-2-amine
CID 587698
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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide (CID 135788802) is N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide is COc1nc(/C(N)=N/O)nc(N2CCCC2)n1.
What is the InChIKey of N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide?
The InChIKey is CDEIDGKPVXZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-17-9-12-7(6(10)14-16)11-8(13-9)15-4-2-3-5-15/h16H,2-5H2,1H3,(H2,10,14).
What are the key properties of N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide?
N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide has a molecular weight of 238.25 g/mol, XLogP of -0.43, 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-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 135788802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).