3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride

C15H14ClN7O — CID 66607734

About 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride

3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride (PubChem CID 66607734) has the molecular formula C15H14ClN7O and a molecular weight of 343.78 g/mol. Its IUPAC name is 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride.

Molecular Properties

• Compound Name: 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride
• PubChem CID: 66607734
• Molecular Formula: C15H14ClN7O
• Molecular Weight: 343.78 g/mol
• Exact Mass: 343.09
• IUPAC Name: 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride
• SMILES: Cc1cc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)NC(=O)CN2.Cl
• InChI: InChI=1S/C15H13N7O.ClH/c1-8-4-9(13-18-7-19-22-13)2-3-10(8)11-5-16-14-15(20-11)21-12(23)6-17-14;/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19,22)(H,20,21,23);1H
• InChIKey: LNXFFHLUUUIHNR-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 108.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.78
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride?

The IUPAC name of 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride (CID 66607734) is 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride.

What is the SMILES notation for 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride?

The canonical SMILES for 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride is Cc1cc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)NC(=O)CN2.Cl.

What is the InChIKey of 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride?

The InChIKey is LNXFFHLUUUIHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O.ClH/c1-8-4-9(13-18-7-19-22-13)2-3-10(8)11-5-16-14-15(20-11)21-12(23)6-17-14;/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19,22)(H,20,21,23);1H.

What are the key properties of 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride?

3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride has a molecular weight of 343.78 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride is sourced from PubChem (CID 66607734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).