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

C16H17N7O — CID 67257897

IUPAC2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-c4ccco4)nn3C)nc12
InChIInChI=1S/C16H17N7O/c1-10-9-17-11(2)16-18-13(20-23(10)16)6-7-14-19-15(21-22(14)3)12-5-4-8-24-12/h4-5,8-9H,6-7H2,1-3H3
InChIKeyNFEVJZDNPVSZHU-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.91
Rot. Bonds4

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

2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 67257897) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID67257897
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-c4ccco4)nn3C)nc12
InChIInChI=1S/C16H17N7O/c1-10-9-17-11(2)16-18-13(20-23(10)16)6-7-14-19-15(21-22(14)3)12-5-4-8-24-12/h4-5,8-9H,6-7H2,1-3H3
InChIKeyNFEVJZDNPVSZHU-UHFFFAOYSA-N
XLogP1.91
TPSA86.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 67257897) is 2-[2-[5-(furan-2-yl)-2-methyl-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-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3nc(-c4ccco4)nn3C)nc12.
What is the InChIKey of 2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is NFEVJZDNPVSZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-10-9-17-11(2)16-18-13(20-23(10)16)6-7-14-19-15(21-22(14)3)12-5-4-8-24-12/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 323.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 67257897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).