4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide

C15H21N5O — CID 79671003

IUPAC4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2nn(CC)c3ccccc23)CCO1
InChIInChI=1S/C15H21N5O/c1-2-20-13-6-4-3-5-11(13)12(18-20)9-19-7-8-21-14(10-19)15(16)17/h3-6,14H,2,7-10H2,1H3,(H3,16,17)
InChIKeyGXLFNYHGYCBQTR-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.19
Rot. Bonds4

About 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide

4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide (PubChem CID 79671003) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
PubChem CID79671003
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2nn(CC)c3ccccc23)CCO1
InChIInChI=1S/C15H21N5O/c1-2-20-13-6-4-3-5-11(13)12(18-20)9-19-7-8-21-14(10-19)15(16)17/h3-6,14H,2,7-10H2,1H3,(H3,16,17)
InChIKeyGXLFNYHGYCBQTR-UHFFFAOYSA-N
XLogP1.19
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]morpholine-2-carboximidamide
CID 79681458
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79680379
(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 113282469
4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676156
4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676619
1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole
CID 104881355
4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79675684
2-[1-[(1-ethylindazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 136532272
1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103577247
4-butylmorpholine-2-carboximidamide
CID 79680820
5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115944267
5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine
CID 79537391

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide?
The IUPAC name of 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide (CID 79671003) is 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide.
What is the SMILES notation for 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide?
The canonical SMILES for 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(Cc2nn(CC)c3ccccc23)CCO1.
What is the InChIKey of 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide?
The InChIKey is GXLFNYHGYCBQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-20-13-6-4-3-5-11(13)12(18-20)9-19-7-8-21-14(10-19)15(16)17/h3-6,14H,2,7-10H2,1H3,(H3,16,17).
What are the key properties of 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide?
4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide has a molecular weight of 287.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79671003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).