N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide

C14H25N5O2 — CID 125439899

IUPACN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide
SMILESCC[C@H](NC(=O)CCCN1CCOCC1)c1ncnn1C
InChIInChI=1S/C14H25N5O2/c1-3-12(14-15-11-16-18(14)2)17-13(20)5-4-6-19-7-9-21-10-8-19/h11-12H,3-10H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyMYRNYEXYSZBEME-LBPRGKRZSA-N
MW295.39 g/mol
LogP0.49
Rot. Bonds7

About N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide (PubChem CID 125439899) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide
PubChem CID125439899
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide
SMILESCC[C@H](NC(=O)CCCN1CCOCC1)c1ncnn1C
InChIInChI=1S/C14H25N5O2/c1-3-12(14-15-11-16-18(14)2)17-13(20)5-4-6-19-7-9-21-10-8-19/h11-12H,3-10H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyMYRNYEXYSZBEME-LBPRGKRZSA-N
XLogP0.49
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 124750445
2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122564046
2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122560853
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125446952
N-methyl-7-morpholin-4-ylheptanamide
CID 176680363
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
ethane;N-methyl-7-morpholin-4-ylheptanamide
CID 176680362
5-morpholin-4-ylpentanehydrazide
CID 63570305
2-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 122570314
N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 129478459
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide?
The IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide (CID 125439899) is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide is CC[C@H](NC(=O)CCCN1CCOCC1)c1ncnn1C.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide?
The InChIKey is MYRNYEXYSZBEME-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-12(14-15-11-16-18(14)2)17-13(20)5-4-6-19-7-9-21-10-8-19/h11-12H,3-10H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide?
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide has a molecular weight of 295.39 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 125439899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).