3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine

C9H12N6O — CID 63260264

IUPAC3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
SMILESCOCCn1cnnc1-c1nccnc1N
InChIInChI=1S/C9H12N6O/c1-16-5-4-15-6-13-14-9(15)7-8(10)12-3-2-11-7/h2-3,6H,4-5H2,1H3,(H2,10,12)
InChIKeyYXLIBFHZFHQRTF-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.04
Rot. Bonds4

About 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine

3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine (PubChem CID 63260264) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
PubChem CID63260264
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
SMILESCOCCn1cnnc1-c1nccnc1N
InChIInChI=1S/C9H12N6O/c1-16-5-4-15-6-13-14-9(15)7-8(10)12-3-2-11-7/h2-3,6H,4-5H2,1H3,(H2,10,12)
InChIKeyYXLIBFHZFHQRTF-UHFFFAOYSA-N
XLogP-0.04
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine?
The IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine (CID 63260264) is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine?
The canonical SMILES for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine is COCCn1cnnc1-c1nccnc1N.
What is the InChIKey of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine?
The InChIKey is YXLIBFHZFHQRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-16-5-4-15-6-13-14-9(15)7-8(10)12-3-2-11-7/h2-3,6H,4-5H2,1H3,(H2,10,12).
What are the key properties of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine?
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine has a molecular weight of 220.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazin-2-amine is sourced from PubChem (CID 63260264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).