Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide

C₃₉H₄₃BrCl₃N₁₁O₆ — CID 158070394

About Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide

Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide (PubChem CID 158070394) has the molecular formula C₃₉H₄₃BrCl₃N₁₁O₆ and a molecular weight of 948.11 g/mol. Its IUPAC name is benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide.

Molecular Properties

• Compound Name: Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide
• PubChem CID: 158070394
• Molecular Formula: C₃₉H₄₃BrCl₃N₁₁O₆
• Molecular Weight: 948.11 g/mol
• Exact Mass: 945.16
• IUPAC Name: benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide
• SMILES: Br.C.NCc1ncc2ccc(Cl)cn12.NNc1ccc(Cl)cn1.O=C(NCc1nnc2ccc(Cl)cn12)OCc1ccccc1.O=C(O)CNC(=O)OCc1ccccc1
• InChI: InChI=1S/C15H13ClN4O2.C10H11NO4.C8H8ClN3.C5H6ClN3.CH4.BrH/c16-12-6-7-13-18-19-14(20(13)9-12)8-17-15(21)22-10-11-4-2-1-3-5-11;12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8;9-6-1-2-7-4-11-8(3-10)12(7)5-6;6-4-1-2-5(9-7)8-3-4;;/h1-7,9H,8,10H2,(H,17,21);1-5H,6-7H2,(H,11,14)(H,12,13);1-2,4-5H,3,10H2;1-3H,7H2,(H,8,9);1H4;1H
• InChIKey: JZAZPNMPLKVZON-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 238.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	948.11
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide?

The IUPAC name of Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide (CID 158070394) is benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide.

What is the SMILES notation for Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide?

The canonical SMILES for Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide is Br.C.NCc1ncc2ccc(Cl)cn12.NNc1ccc(Cl)cn1.O=C(NCc1nnc2ccc(Cl)cn12)OCc1ccccc1.O=C(O)CNC(=O)OCc1ccccc1.

What is the InChIKey of Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide?

The InChIKey is JZAZPNMPLKVZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2.C10H11NO4.C8H8ClN3.C5H6ClN3.CH4.BrH/c16-12-6-7-13-18-19-14(20(13)9-12)8-17-15(21)22-10-11-4-2-1-3-5-11;12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8;9-6-1-2-7-4-11-8(3-10)12(7)5-6;6-4-1-2-5(9-7)8-3-4;;/h1-7,9H,8,10H2,(H,17,21);1-5H,6-7H2,(H,11,14)(H,12,13);1-2,4-5H,3,10H2;1-3H,7H2,(H,8,9);1H4;1H.

What are the key properties of Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide?

Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide has a molecular weight of 948.11 g/mol, XLogP of 7.49, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for Benzyl N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]carbamate;(6-chloroimidazo[1,5-a]pyridin-3-yl)methanamine;(5-chloro-2-pyridinyl)hydrazine;methane;2-(phenylmethoxycarbonylamino)acetic acid;hydrobromide is sourced from PubChem (CID 158070394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158070394 — identifiers, structure, computed properties (public domain)

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