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

C13H24N4O — CID 164635083

IUPAC(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
SMILESCc1nncn1CCN1CCO[C@@H](CC(C)C)C1
InChIInChI=1S/C13H24N4O/c1-11(2)8-13-9-16(6-7-18-13)4-5-17-10-14-15-12(17)3/h10-11,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyHXMSPBZQTPVFFT-ZDUSSCGKSA-N
MW252.36 g/mol
LogP1.33
Rot. Bonds5

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

(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine (PubChem CID 164635083) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
PubChem CID164635083
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
SMILESCc1nncn1CCN1CCO[C@@H](CC(C)C)C1
InChIInChI=1S/C13H24N4O/c1-11(2)8-13-9-16(6-7-18-13)4-5-17-10-14-15-12(17)3/h10-11,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyHXMSPBZQTPVFFT-ZDUSSCGKSA-N
XLogP1.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine?
The IUPAC name of (2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine (CID 164635083) is (2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine.
What is the SMILES notation for (2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine?
The canonical SMILES for (2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine is Cc1nncn1CCN1CCO[C@@H](CC(C)C)C1.
What is the InChIKey of (2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine?
The InChIKey is HXMSPBZQTPVFFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)8-13-9-16(6-7-18-13)4-5-17-10-14-15-12(17)3/h10-11,13H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine?
(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine has a molecular weight of 252.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 164635083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).