(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide

C13H23N5O2 — CID 94020930

IUPAC(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCC(C)(C)N1CCOCC1)n1cncn1
InChIInChI=1S/C13H23N5O2/c1-11(18-10-14-9-16-18)12(19)15-8-13(2,3)17-4-6-20-7-5-17/h9-11H,4-8H2,1-3H3,(H,15,19)/t11-/m0/s1
InChIKeyKSUFKCBZPGMQIA-NSHDSACASA-N
MW281.36 g/mol
LogP0.07
Rot. Bonds5

About (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94020930) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID94020930
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCC(C)(C)N1CCOCC1)n1cncn1
InChIInChI=1S/C13H23N5O2/c1-11(18-10-14-9-16-18)12(19)15-8-13(2,3)17-4-6-20-7-5-17/h9-11H,4-8H2,1-3H3,(H,15,19)/t11-/m0/s1
InChIKeyKSUFKCBZPGMQIA-NSHDSACASA-N
XLogP0.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 94020930) is (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide is C[C@@H](C(=O)NCC(C)(C)N1CCOCC1)n1cncn1.
What is the InChIKey of (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KSUFKCBZPGMQIA-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O2/c1-11(18-10-14-9-16-18)12(19)15-8-13(2,3)17-4-6-20-7-5-17/h9-11H,4-8H2,1-3H3,(H,15,19)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 281.36 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94020930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).