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

C18H16ClN7 — CID 123520438

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

7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 123520438) has the molecular formula C18H16ClN7 and a molecular weight of 365.83 g/mol. Its IUPAC name is 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 123520438
• Molecular Formula: C18H16ClN7
• Molecular Weight: 365.83 g/mol
• Exact Mass: 365.12
• IUPAC Name: 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: Cc1nnc2n1CCN(c1cc(-c3nc4ccccc4[nH]3)c(Cl)cn1)C2
• InChI: InChI=1S/C18H16ClN7/c1-11-23-24-17-10-25(6-7-26(11)17)16-8-12(13(19)9-20-16)18-21-14-4-2-3-5-15(14)22-18/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)
• InChIKey: ZPIBGIOIILZMQY-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 75.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.83
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 123520438) is 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2n1CCN(c1cc(-c3nc4ccccc4[nH]3)c(Cl)cn1)C2.

What is the InChIKey of 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is ZPIBGIOIILZMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7/c1-11-23-24-17-10-25(6-7-26(11)17)16-8-12(13(19)9-20-16)18-21-14-4-2-3-5-15(14)22-18/h2-5,8-9H,6-7,10H2,1H3,(H,21,22).

What are the key properties of 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?

7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 365.83 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 123520438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).