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

C9H15N5O2 — CID 43593947

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCO[C@H]1CNCC1NC(=O)Cn1cncn1
InChIInChI=1S/C9H15N5O2/c1-16-8-3-10-2-7(8)13-9(15)4-14-6-11-5-12-14/h5-8,10H,2-4H2,1H3,(H,13,15)/t7?,8-/m0/s1
InChIKeyBGWQBDICNJJYQE-MQWKRIRWSA-N
MW225.25 g/mol
LogP-1.62
Rot. Bonds4

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

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43593947) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43593947
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCO[C@H]1CNCC1NC(=O)Cn1cncn1
InChIInChI=1S/C9H15N5O2/c1-16-8-3-10-2-7(8)13-9(15)4-14-6-11-5-12-14/h5-8,10H,2-4H2,1H3,(H,13,15)/t7?,8-/m0/s1
InChIKeyBGWQBDICNJJYQE-MQWKRIRWSA-N
XLogP-1.62
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.62
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
(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
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]-3-(1,2,4-triazol-1-yl)propanamide
CID 43593951
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43593953
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
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 43595765
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 43595767

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 43593947) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide is CO[C@H]1CNCC1NC(=O)Cn1cncn1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is BGWQBDICNJJYQE-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-16-8-3-10-2-7(8)13-9(15)4-14-6-11-5-12-14/h5-8,10H,2-4H2,1H3,(H,13,15)/t7?,8-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.62, 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)acetamide is sourced from PubChem (CID 43593947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).