[4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine

C13H23N5OS — CID 79171347

IUPAC[4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCN1CCOC(CSc2nnc(CN)n2C2CC2)C1
InChIInChI=1S/C13H23N5OS/c1-2-17-5-6-19-11(8-17)9-20-13-16-15-12(7-14)18(13)10-3-4-10/h10-11H,2-9,14H2,1H3
InChIKeyIMIALQROHIBWLO-UHFFFAOYSA-N
MW297.43 g/mol
LogP0.88
Rot. Bonds6

About [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine

[4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 79171347) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID79171347
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name[4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCN1CCOC(CSc2nnc(CN)n2C2CC2)C1
InChIInChI=1S/C13H23N5OS/c1-2-17-5-6-19-11(8-17)9-20-13-16-15-12(7-14)18(13)10-3-4-10/h10-11H,2-9,14H2,1H3
InChIKeyIMIALQROHIBWLO-UHFFFAOYSA-N
XLogP0.88
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 79172247
[4-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63314202
[4-cyclopropyl-5-(2-ethylbutylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 82927901
[4-cyclopropyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63314462
2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine
CID 79171551
5-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrrolidin-2-one
CID 107530249
4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 61468544
4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 79172249
[4-cyclopropyl-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63314384
4-ethyl-2-propylmorpholine
CID 127673597
2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114401293
2,4-diethylmorpholine
CID 58988021

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine (CID 79171347) is [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine is CCN1CCOC(CSc2nnc(CN)n2C2CC2)C1.
What is the InChIKey of [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is IMIALQROHIBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-2-17-5-6-19-11(8-17)9-20-13-16-15-12(7-14)18(13)10-3-4-10/h10-11H,2-9,14H2,1H3.
What are the key properties of [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
[4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 297.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 79171347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).