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

C8H13N5O — CID 63282840

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESNCC1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C8H13N5O/c9-3-6-1-2-13(5-6)8(14)7-4-10-12-11-7/h4,6H,1-3,5,9H2,(H,10,11,12)
InChIKeyJEMMFJYJSKYETH-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.77
Rot. Bonds2

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

[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 63282840) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID63282840
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESNCC1CCN(C(=O)c2cn[nH]n2)C1
InChIInChI=1S/C8H13N5O/c9-3-6-1-2-13(5-6)8(14)7-4-10-12-11-7/h4,6H,1-3,5,9H2,(H,10,11,12)
InChIKeyJEMMFJYJSKYETH-UHFFFAOYSA-N
XLogP-0.77
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
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
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
[3-(aminomethyl)pyrrolidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119486615
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
[3-(aminomethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone;hydrochloride
CID 119485128
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (CID 63282840) is [3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is NCC1CCN(C(=O)c2cn[nH]n2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is JEMMFJYJSKYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-3-6-1-2-13(5-6)8(14)7-4-10-12-11-7/h4,6H,1-3,5,9H2,(H,10,11,12).
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 195.23 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 63282840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).