(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride

C9H13ClN4O — CID 71644274

IUPAC(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C9H12N4O.ClH/c10-7-1-4-13(6-7)9(14)8-5-11-2-3-12-8;/h2-3,5,7H,1,4,6,10H2;1H
InChIKeyIUSFQIWEJMPHSN-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.07
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride

(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride (PubChem CID 71644274) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
PubChem CID71644274
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C9H12N4O.ClH/c10-7-1-4-13(6-7)9(14)8-5-11-2-3-12-8;/h2-3,5,7H,1,4,6,10H2;1H
InChIKeyIUSFQIWEJMPHSN-UHFFFAOYSA-N
XLogP0.07
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
CID 71644010
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride (CID 71644274) is (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride is Cl.NC1CCN(C(=O)c2cnccn2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride?
The InChIKey is IUSFQIWEJMPHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.ClH/c10-7-1-4-13(6-7)9(14)8-5-11-2-3-12-8;/h2-3,5,7H,1,4,6,10H2;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 71644274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).