(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone

C8H12N4O2 — CID 103536935

IUPAC(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCOC1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C8H12N4O2/c1-14-6-2-3-12(5-6)8(13)7-4-9-11-10-7/h4,6H,2-3,5H2,1H3,(H,9,10,11)
InChIKeyFVLFYLHRKCFIQI-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.33
Rot. Bonds2

About (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone

(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone (PubChem CID 103536935) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
PubChem CID103536935
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCOC1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C8H12N4O2/c1-14-6-2-3-12(5-6)8(13)7-4-9-11-10-7/h4,6H,2-3,5H2,1H3,(H,9,10,11)
InChIKeyFVLFYLHRKCFIQI-UHFFFAOYSA-N
XLogP-0.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 112733485
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 118782933
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone (CID 103536935) is (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone is COC1CCN(C(=O)c2cn[nH]n2)C1.
What is the InChIKey of (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is FVLFYLHRKCFIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-14-6-2-3-12(5-6)8(13)7-4-9-11-10-7/h4,6H,2-3,5H2,1H3,(H,9,10,11).
What are the key properties of (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone?
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 196.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 103536935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).