N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide

C10H17N5O2 — CID 43593953

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCO[C@H]1CNCC1NC(=O)C(C)n1cncn1
InChIInChI=1S/C10H17N5O2/c1-7(15-6-12-5-13-15)10(16)14-8-3-11-4-9(8)17-2/h5-9,11H,3-4H2,1-2H3,(H,14,16)/t7?,8?,9-/m0/s1
InChIKeyULXLLSBIPUJEIK-HACHORDNSA-N
MW239.28 g/mol
LogP-1.06
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43593953) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43593953
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCO[C@H]1CNCC1NC(=O)C(C)n1cncn1
InChIInChI=1S/C10H17N5O2/c1-7(15-6-12-5-13-15)10(16)14-8-3-11-4-9(8)17-2/h5-9,11H,3-4H2,1-2H3,(H,14,16)/t7?,8?,9-/m0/s1
InChIKeyULXLLSBIPUJEIK-HACHORDNSA-N
XLogP-1.06
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
(3R,4S)-3,4-dimethoxy-N-[3,3,3-trifluoro-2-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 132363866
(3S)-3-methoxy-N-[3,3,3-trifluoro-2-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 167913466
N-(2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518144
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide
CID 110225961
N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43419307
Methyl 2-[2-(1,2,4-triazol-1-yl)propanoylamino]acetate
CID 43423963
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43593947
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 43593951
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 43594084
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 43595761

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide (CID 43593953) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide is CO[C@H]1CNCC1NC(=O)C(C)n1cncn1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ULXLLSBIPUJEIK-HACHORDNSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(15-6-12-5-13-15)10(16)14-8-3-11-4-9(8)17-2/h5-9,11H,3-4H2,1-2H3,(H,14,16)/t7?,8?,9-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 239.28 g/mol, XLogP of -1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43593953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).