1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone

C10H17N5O — CID 173102818

IUPAC1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CN2C=NNC2CN1)N1CCCC1
InChIInChI=1S/C10H17N5O/c16-10(14-3-1-2-4-14)8-6-15-7-12-13-9(15)5-11-8/h7-9,11,13H,1-6H2
InChIKeySUYHQJTWWLELOQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.24
Rot. Bonds1

About 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone

1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone (PubChem CID 173102818) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
PubChem CID173102818
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CN2C=NNC2CN1)N1CCCC1
InChIInChI=1S/C10H17N5O/c16-10(14-3-1-2-4-14)8-6-15-7-12-13-9(15)5-11-8/h7-9,11,13H,1-6H2
InChIKeySUYHQJTWWLELOQ-UHFFFAOYSA-N
XLogP-1.24
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone (CID 173102818) is 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone is O=C(C1CN2C=NNC2CN1)N1CCCC1.
What is the InChIKey of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone?
The InChIKey is SUYHQJTWWLELOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c16-10(14-3-1-2-4-14)8-6-15-7-12-13-9(15)5-11-8/h7-9,11,13H,1-6H2.
What are the key properties of 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone?
1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 173102818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).