7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C13H23N5 — CID 64576798

IUPAC7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1(CN2CCn3cnnc3C2)CCNC1
InChIInChI=1S/C13H23N5/c1-2-3-13(4-5-14-9-13)10-17-6-7-18-11-15-16-12(18)8-17/h11,14H,2-10H2,1H3
InChIKeyDDFDYXJDVNBPJX-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.87
Rot. Bonds4

About 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64576798) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64576798
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1(CN2CCn3cnnc3C2)CCNC1
InChIInChI=1S/C13H23N5/c1-2-3-13(4-5-14-9-13)10-17-6-7-18-11-15-16-12(18)8-17/h11,14H,2-10H2,1H3
InChIKeyDDFDYXJDVNBPJX-UHFFFAOYSA-N
XLogP0.87
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64576798) is 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCCC1(CN2CCn3cnnc3C2)CCNC1.
What is the InChIKey of 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DDFDYXJDVNBPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-3-13(4-5-14-9-13)10-17-6-7-18-11-15-16-12(18)8-17/h11,14H,2-10H2,1H3.
What are the key properties of 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 249.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-propylpyrrolidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64576798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).