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

C13H20N6 — CID 53186217

IUPAC7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(Cc1cn(C)nc1C)C2
InChIInChI=1S/C13H20N6/c1-4-12-14-15-13-9-18(5-6-19(12)13)8-11-7-17(3)16-10(11)2/h7H,4-6,8-9H2,1-3H3
InChIKeyKBJLAHZRNRBZIQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.90
Rot. Bonds3

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

7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53186217) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53186217
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(Cc1cn(C)nc1C)C2
InChIInChI=1S/C13H20N6/c1-4-12-14-15-13-9-18(5-6-19(12)13)8-11-7-17(3)16-10(11)2/h7H,4-6,8-9H2,1-3H3
InChIKeyKBJLAHZRNRBZIQ-UHFFFAOYSA-N
XLogP0.90
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 53186217) is 7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCc1nnc2n1CCN(Cc1cn(C)nc1C)C2.
What is the InChIKey of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KBJLAHZRNRBZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-12-14-15-13-9-18(5-6-19(12)13)8-11-7-17(3)16-10(11)2/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 260.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53186217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).