(7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone

C15H14ClFN6O — CID 177021820

IUPAC(7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESCc1nc2n(n1)CCN(C(=O)c1nc3c(F)ccc(Cl)c3[nH]1)C2C
InChIInChI=1S/C15H14ClFN6O/c1-7-14-18-8(2)21-23(14)6-5-22(7)15(24)13-19-11-9(16)3-4-10(17)12(11)20-13/h3-4,7H,5-6H2,1-2H3,(H,19,20)
InChIKeyIPUYYBRPWJLRIN-UHFFFAOYSA-N
MW348.77 g/mol
LogP2.47
Rot. Bonds1

About (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone

(7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (PubChem CID 177021820) has the molecular formula C15H14ClFN6O and a molecular weight of 348.77 g/mol. Its IUPAC name is (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
PubChem CID177021820
Molecular FormulaC15H14ClFN6O
Molecular Weight348.77 g/mol
Exact Mass348.09
IUPAC Name(7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESCc1nc2n(n1)CCN(C(=O)c1nc3c(F)ccc(Cl)c3[nH]1)C2C
InChIInChI=1S/C15H14ClFN6O/c1-7-14-18-8(2)21-23(14)6-5-22(7)15(24)13-19-11-9(16)3-4-10(17)12(11)20-13/h3-4,7H,5-6H2,1-2H3,(H,19,20)
InChIKeyIPUYYBRPWJLRIN-UHFFFAOYSA-N
XLogP2.47
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The IUPAC name of (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (CID 177021820) is (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The canonical SMILES for (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is Cc1nc2n(n1)CCN(C(=O)c1nc3c(F)ccc(Cl)c3[nH]1)C2C.
What is the InChIKey of (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The InChIKey is IPUYYBRPWJLRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN6O/c1-7-14-18-8(2)21-23(14)6-5-22(7)15(24)13-19-11-9(16)3-4-10(17)12(11)20-13/h3-4,7H,5-6H2,1-2H3,(H,19,20).
What are the key properties of (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
(7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone has a molecular weight of 348.77 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-fluoro-1H-benzimidazol-2-yl)-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 177021820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).