3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one

C16H26N4O2 — CID 58869626

IUPAC3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one
SMILESCc1cnc(NCC2CCCN2CC2CC2)c(=O)n1CCO
InChIInChI=1S/C16H26N4O2/c1-12-9-17-15(16(22)20(12)7-8-21)18-10-14-3-2-6-19(14)11-13-4-5-13/h9,13-14,21H,2-8,10-11H2,1H3,(H,17,18)
InChIKeyQXKYPDUDPDPGTA-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.83
Rot. Bonds7

About 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one

3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one (PubChem CID 58869626) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one
PubChem CID58869626
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one
SMILESCc1cnc(NCC2CCCN2CC2CC2)c(=O)n1CCO
InChIInChI=1S/C16H26N4O2/c1-12-9-17-15(16(22)20(12)7-8-21)18-10-14-3-2-6-19(14)11-13-4-5-13/h9,13-14,21H,2-8,10-11H2,1H3,(H,17,18)
InChIKeyQXKYPDUDPDPGTA-UHFFFAOYSA-N
XLogP0.83
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one?
The IUPAC name of 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one (CID 58869626) is 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one?
The canonical SMILES for 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one is Cc1cnc(NCC2CCCN2CC2CC2)c(=O)n1CCO.
What is the InChIKey of 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one?
The InChIKey is QXKYPDUDPDPGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-9-17-15(16(22)20(12)7-8-21)18-10-14-3-2-6-19(14)11-13-4-5-13/h9,13-14,21H,2-8,10-11H2,1H3,(H,17,18).
What are the key properties of 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one?
3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one has a molecular weight of 306.41 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one is sourced from PubChem (CID 58869626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).