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

C10H17N5O — CID 90873240

IUPAC2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CN2CNN=C2CN1)N1CCCC1
InChIInChI=1S/C10H17N5O/c16-10(14-3-1-2-4-14)8-6-15-7-12-13-9(15)5-11-8/h8,11-12H,1-7H2
InChIKeyNZQATFUOCPMPFG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.24
Rot. Bonds1

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

2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone (PubChem CID 90873240) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
PubChem CID90873240
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CN2CNN=C2CN1)N1CCCC1
InChIInChI=1S/C10H17N5O/c16-10(14-3-1-2-4-14)8-6-15-7-12-13-9(15)5-11-8/h8,11-12H,1-7H2
InChIKeyNZQATFUOCPMPFG-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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Related Compounds

2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 90779595
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
CID 90868092
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
CID 91241599
3-Oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
CID 155338368
1,5,6,7,8,8a-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
CID 173102818
2-(2-Oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272991
(2R)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 129609436
(2S)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 129609437
N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide formate
CID 131894887
3-Oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
CID 142587529

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone (CID 90873240) is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone is O=C(C1CN2CNN=C2CN1)N1CCCC1.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone?
The InChIKey is NZQATFUOCPMPFG-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/h8,11-12H,1-7H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone?
2,3,5,6,7,8-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 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 90873240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).