4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide

C10H18N6O — CID 79680379

IUPAC4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2ncnn2CC)CCO1
InChIInChI=1S/C10H18N6O/c1-2-16-9(13-7-14-16)6-15-3-4-17-8(5-15)10(11)12/h7-8H,2-6H2,1H3,(H3,11,12)
InChIKeyCSLCGNZMOBONLQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.57
Rot. Bonds4

About 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide

4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide (PubChem CID 79680379) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide
PubChem CID79680379
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2ncnn2CC)CCO1
InChIInChI=1S/C10H18N6O/c1-2-16-9(13-7-14-16)6-15-3-4-17-8(5-15)10(11)12/h7-8H,2-6H2,1H3,(H3,11,12)
InChIKeyCSLCGNZMOBONLQ-UHFFFAOYSA-N
XLogP-0.57
TPSA93.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
CID 113331028
4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79671003
4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]morpholine-2-carboximidamide
CID 79681458
4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676156
4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79675684
4-butylmorpholine-2-carboximidamide
CID 79680820
4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676619
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114502580
4-methylmorpholine-2-carboximidamide
CID 75481075
5-[[(3S)-3-(cyclopentylmethyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 100699656
3-(bromomethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80679311
4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide
CID 79676340

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide?
The IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide (CID 79680379) is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide.
What is the SMILES notation for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide?
The canonical SMILES for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(Cc2ncnn2CC)CCO1.
What is the InChIKey of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide?
The InChIKey is CSLCGNZMOBONLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-2-16-9(13-7-14-16)6-15-3-4-17-8(5-15)10(11)12/h7-8H,2-6H2,1H3,(H3,11,12).
What are the key properties of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide?
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79680379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).