3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C18H21N7 — CID 175650622

IUPAC3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ncccc1CN1CC2CC1CN2c1nccn2c(C)nnc12
InChIInChI=1S/C18H21N7/c1-12-14(4-3-5-19-12)9-23-10-16-8-15(23)11-25(16)17-18-22-21-13(2)24(18)7-6-20-17/h3-7,15-16H,8-11H2,1-2H3
InChIKeyIOZWDCDWGWJNTP-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.60
Rot. Bonds3

About 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine

3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 175650622) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID175650622
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ncccc1CN1CC2CC1CN2c1nccn2c(C)nnc12
InChIInChI=1S/C18H21N7/c1-12-14(4-3-5-19-12)9-23-10-16-8-15(23)11-25(16)17-18-22-21-13(2)24(18)7-6-20-17/h3-7,15-16H,8-11H2,1-2H3
InChIKeyIOZWDCDWGWJNTP-UHFFFAOYSA-N
XLogP1.60
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 175650622) is 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ncccc1CN1CC2CC1CN2c1nccn2c(C)nnc12.
What is the InChIKey of 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IOZWDCDWGWJNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-12-14(4-3-5-19-12)9-23-10-16-8-15(23)11-25(16)17-18-22-21-13(2)24(18)7-6-20-17/h3-7,15-16H,8-11H2,1-2H3.
What are the key properties of 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 335.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 175650622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).