1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one

C13H22N4O2 — CID 106621403

IUPAC1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
SMILESCCn1ccnc(N(CCO)CC2CCCN2)c1=O
InChIInChI=1S/C13H22N4O2/c1-2-16-7-6-15-12(13(16)19)17(8-9-18)10-11-4-3-5-14-11/h6-7,11,14,18H,2-5,8-10H2,1H3
InChIKeySKCGUCPKMYEIOO-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.19
Rot. Bonds6

About 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one

1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one (PubChem CID 106621403) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
PubChem CID106621403
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
SMILESCCn1ccnc(N(CCO)CC2CCCN2)c1=O
InChIInChI=1S/C13H22N4O2/c1-2-16-7-6-15-12(13(16)19)17(8-9-18)10-11-4-3-5-14-11/h6-7,11,14,18H,2-5,8-10H2,1H3
InChIKeySKCGUCPKMYEIOO-UHFFFAOYSA-N
XLogP-0.19
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106621438
1-cyclopropyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106619895
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365
2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
CID 106621339
N-(cyclopropylmethyl)-1-ethyl-N-(pyrrolidin-2-ylmethyl)imidazol-2-amine
CID 106619952
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
4-chloro-5-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propylpyridazin-3-one
CID 106621465
2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621171
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619653
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 106621340
2-[(5-bromo-3-nitro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621301

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one (CID 106621403) is 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one is CCn1ccnc(N(CCO)CC2CCCN2)c1=O.
What is the InChIKey of 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one?
The InChIKey is SKCGUCPKMYEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-16-7-6-15-12(13(16)19)17(8-9-18)10-11-4-3-5-14-11/h6-7,11,14,18H,2-5,8-10H2,1H3.
What are the key properties of 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one?
1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one has a molecular weight of 266.34 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one is sourced from PubChem (CID 106621403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).