3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C27H25N7O3 — CID 171358367

About 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 171358367) has the molecular formula C27H25N7O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
• PubChem CID: 171358367
• Molecular Formula: C27H25N7O3
• Molecular Weight: 495.54 g/mol
• Exact Mass: 495.20
• IUPAC Name: 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
• SMILES: O=C1c2c(O)c(=O)c(-c3nn[nH]n3)cn2N(C2c3ccccc3CCc3ccccc32)CN1CC1CC1
• InChI: InChI=1S/C27H25N7O3/c35-24-21(26-28-30-31-29-26)14-33-23(25(24)36)27(37)32(13-16-9-10-16)15-34(33)22-19-7-3-1-5-17(19)11-12-18-6-2-4-8-20(18)22/h1-8,14,16,22,36H,9-13,15H2,(H,28,29,30,31)
• InChIKey: DCENDTNNHZZCGK-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 120.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.54
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?

The IUPAC name of 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 171358367) is 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

What is the SMILES notation for 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?

The canonical SMILES for 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is O=C1c2c(O)c(=O)c(-c3nn[nH]n3)cn2N(C2c3ccccc3CCc3ccccc32)CN1CC1CC1.

What is the InChIKey of 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?

The InChIKey is DCENDTNNHZZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3/c35-24-21(26-28-30-31-29-26)14-33-23(25(24)36)27(37)32(13-16-9-10-16)15-34(33)22-19-7-3-1-5-17(19)11-12-18-6-2-4-8-20(18)22/h1-8,14,16,22,36H,9-13,15H2,(H,28,29,30,31).

What are the key properties of 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?

3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 495.54 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-5-hydroxy-7-(2H-tetrazol-5-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 171358367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).