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

C9H14N6O3 — CID 4612877

IUPACN'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
SMILESCOc1nc(C(N)=NO)nc(N2CCOCC2)n1
InChIInChI=1S/C9H14N6O3/c1-17-9-12-7(6(10)14-16)11-8(13-9)15-2-4-18-5-3-15/h16H,2-5H2,1H3,(H2,10,14)
InChIKeyJZZFQUILDKIQAR-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.19
Rot. Bonds3

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

N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide (PubChem CID 4612877) has the molecular formula C9H14N6O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
PubChem CID4612877
Molecular FormulaC9H14N6O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC NameN'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
SMILESCOc1nc(C(N)=NO)nc(N2CCOCC2)n1
InChIInChI=1S/C9H14N6O3/c1-17-9-12-7(6(10)14-16)11-8(13-9)15-2-4-18-5-3-15/h16H,2-5H2,1H3,(H2,10,14)
InChIKeyJZZFQUILDKIQAR-UHFFFAOYSA-N
XLogP-1.19
TPSA118.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazine-2-carboxamide
CID 942832
6-Ethoxy-4-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 729542
1,3,5-Triazin-2-amine, 4-methoxy-6-(4-morpholinylmethyl)-
CID 199954
1,3,5-Triazin-2(1H)-one, 4-(4-morpholinyl)-6-propyl-, oxime
CID 3080117
6-(Ethylamino)-4-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 672046
4-Dimethylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carbonitrile
CID 1088873
1,3,5-Triazin-2-amine, 4-methoxy-6-(2-(4-morpholinyl)ethyl)-
CID 199953
N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine
CID 45029486
4-(Methoxymethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155545099
2-Cyano-4-methoxy-6-morpholyl-1,3,5-triazine
CID 85791643
4-Methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
CID 4303317
4-[(4-Ethylpiperazin-1-yl)methyl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 16490511

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide (CID 4612877) is N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide is COc1nc(C(N)=NO)nc(N2CCOCC2)n1.
What is the InChIKey of N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide?
The InChIKey is JZZFQUILDKIQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3/c1-17-9-12-7(6(10)14-16)11-8(13-9)15-2-4-18-5-3-15/h16H,2-5H2,1H3,(H2,10,14).
What are the key properties of N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide?
N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide has a molecular weight of 254.25 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 4612877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).