2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C19H26N8 — CID 90018313

IUPAC2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(CC4CC4)n3)nc12
InChIInChI=1S/C19H26N8/c1-13-11-20-14(2)18-21-16(24-27(13)18)7-8-17-22-19(25-9-3-4-10-25)26(23-17)12-15-5-6-15/h11,15H,3-10,12H2,1-2H3
InChIKeyJTGBDLPQADNLIQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.13
Rot. Bonds6

About 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 90018313) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID90018313
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(CC4CC4)n3)nc12
InChIInChI=1S/C19H26N8/c1-13-11-20-14(2)18-21-16(24-27(13)18)7-8-17-22-19(25-9-3-4-10-25)26(23-17)12-15-5-6-15/h11,15H,3-10,12H2,1-2H3
InChIKeyJTGBDLPQADNLIQ-UHFFFAOYSA-N
XLogP2.13
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 90018313) is 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(CC4CC4)n3)nc12.
What is the InChIKey of 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is JTGBDLPQADNLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-13-11-20-14(2)18-21-16(24-27(13)18)7-8-17-22-19(25-9-3-4-10-25)26(23-17)12-15-5-6-15/h11,15H,3-10,12H2,1-2H3.
What are the key properties of 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 366.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 90018313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).