(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone

C12H18N4O3 — CID 107377330

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CC(O)C(O)C2)cn1
InChIInChI=1S/C12H18N4O3/c1-2-3-13-11-5-14-8(4-15-11)12(19)16-6-9(17)10(18)7-16/h4-5,9-10,17-18H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyHICMIAYIARVZRW-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.52
Rot. Bonds4

About (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone

(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone (PubChem CID 107377330) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
PubChem CID107377330
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CC(O)C(O)C2)cn1
InChIInChI=1S/C12H18N4O3/c1-2-3-13-11-5-14-8(4-15-11)12(19)16-6-9(17)10(18)7-16/h4-5,9-10,17-18H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyHICMIAYIARVZRW-UHFFFAOYSA-N
XLogP-0.52
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376688
1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375381
(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376996
(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378752
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376681
(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375674
N-(cyclopropylmethyl)-N-propyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374839
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone (CID 107377330) is (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone is CCCNc1cnc(C(=O)N2CC(O)C(O)C2)cn1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The InChIKey is HICMIAYIARVZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-3-13-11-5-14-8(4-15-11)12(19)16-6-9(17)10(18)7-16/h4-5,9-10,17-18H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone has a molecular weight of 266.30 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107377330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).