2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine

C9H10ClN5 — CID 63385296

IUPAC2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine
SMILESCc1cnc(Cn2c(C)nnc2Cl)cn1
InChIInChI=1S/C9H10ClN5/c1-6-3-12-8(4-11-6)5-15-7(2)13-14-9(15)10/h3-4H,5H2,1-2H3
InChIKeyKZNIWTFNAPYOTR-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.39
Rot. Bonds2

About 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine

2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine (PubChem CID 63385296) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine
PubChem CID63385296
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine
SMILESCc1cnc(Cn2c(C)nnc2Cl)cn1
InChIInChI=1S/C9H10ClN5/c1-6-3-12-8(4-11-6)5-15-7(2)13-14-9(15)10/h3-4H,5H2,1-2H3
InChIKeyKZNIWTFNAPYOTR-UHFFFAOYSA-N
XLogP1.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine?
The IUPAC name of 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine (CID 63385296) is 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine?
The canonical SMILES for 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine is Cc1cnc(Cn2c(C)nnc2Cl)cn1.
What is the InChIKey of 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine?
The InChIKey is KZNIWTFNAPYOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-6-3-12-8(4-11-6)5-15-7(2)13-14-9(15)10/h3-4H,5H2,1-2H3.
What are the key properties of 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine?
2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine has a molecular weight of 223.67 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-5-methylpyrazine is sourced from PubChem (CID 63385296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).