(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone

C11H12N4O — CID 63977108

IUPAC(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone
SMILESCCCn1ccnc1C(=O)c1cnccn1
InChIInChI=1S/C11H12N4O/c1-2-6-15-7-5-14-11(15)10(16)9-8-12-3-4-13-9/h3-5,7-8H,2,6H2,1H3
InChIKeyWHUQZCWNCFAOQM-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.31
Rot. Bonds4

About (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone

(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone (PubChem CID 63977108) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone
PubChem CID63977108
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone
SMILESCCCn1ccnc1C(=O)c1cnccn1
InChIInChI=1S/C11H12N4O/c1-2-6-15-7-5-14-11(15)10(16)9-8-12-3-4-13-9/h3-5,7-8H,2,6H2,1H3
InChIKeyWHUQZCWNCFAOQM-UHFFFAOYSA-N
XLogP1.31
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(Tetrazol-1-yl)pyrazin-2-yl]ethanone
CID 118233131
1-(1-methyl-1H-imidazol-4-yl)ethan-1-one
CID 23143467
6-Imidazol-1-ylpyrazine-2-carboxamide
CID 479368
1-(1,2-Dimethyl-1H-imidazol-5-yl)ethan-1-one
CID 13483374
1-(1,2-Dimethyl-1H-imidazol-4-yl)ethanone
CID 13483382
1-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}ethan-1-one
CID 45086310
1-(1-methyl-1H-imidazol-5-yl)ethan-1-one hydrochloride
CID 86775416
1-{5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-3-yl}ethan-1-one
CID 136559933
2-amino-1-(1-methyl-1H-imidazol-4-yl)ethan-1-one dihydrochloride
CID 165879953
2-amino-1-(1-methyl-1H-imidazol-5-yl)ethan-1-one dihydrochloride
CID 165950242
(E)-3-(dimethylamino)-1-(2,3-dimethylimidazol-4-yl)prop-2-en-1-one
CID 22273537
N,5-dimethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]pyrazine-2-carboxamide
CID 91782057

Frequently Asked Questions

What is the IUPAC name of (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone (CID 63977108) is (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone is CCCn1ccnc1C(=O)c1cnccn1.
What is the InChIKey of (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone?
The InChIKey is WHUQZCWNCFAOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-6-15-7-5-14-11(15)10(16)9-8-12-3-4-13-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone?
(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone has a molecular weight of 216.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylimidazol-2-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 63977108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).