[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

C9H15N5O — CID 103975879

IUPAC[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C9H15N5O/c1-6(10)7-2-3-14(5-7)9(15)8-4-11-13-12-8/h4,6-7H,2-3,5,10H2,1H3,(H,11,12,13)
InChIKeyUBRBRLJVHBTJGI-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.39
Rot. Bonds2

About [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 103975879) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID103975879
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C9H15N5O/c1-6(10)7-2-3-14(5-7)9(15)8-4-11-13-12-8/h4,6-7H,2-3,5,10H2,1H3,(H,11,12,13)
InChIKeyUBRBRLJVHBTJGI-UHFFFAOYSA-N
XLogP-0.39
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
2-[1-(2H-triazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116681175
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
tert-butyl N-[(1R)-1-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethyl]carbamate
CID 95614884
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334
(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
CID 115661612

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (CID 103975879) is [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is CC(N)C1CCN(C(=O)c2cn[nH]n2)C1.
What is the InChIKey of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is UBRBRLJVHBTJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6(10)7-2-3-14(5-7)9(15)8-4-11-13-12-8/h4,6-7H,2-3,5,10H2,1H3,(H,11,12,13).
What are the key properties of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 103975879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).