5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C24H25N3O3 — CID 67471676

IUPAC5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCc1ccccc1C(c1ccccc1)N1CN(C(C)C)C(=O)c2c(O)c(=O)ccn21
InChIInChI=1S/C24H25N3O3/c1-16(2)25-15-27(26-14-13-20(28)23(29)22(26)24(25)30)21(18-10-5-4-6-11-18)19-12-8-7-9-17(19)3/h4-14,16,21,29H,15H2,1-3H3
InChIKeyDNYLRSVAQAXNTG-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.41
Rot. Bonds4

About 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 67471676) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID67471676
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCc1ccccc1C(c1ccccc1)N1CN(C(C)C)C(=O)c2c(O)c(=O)ccn21
InChIInChI=1S/C24H25N3O3/c1-16(2)25-15-27(26-14-13-20(28)23(29)22(26)24(25)30)21(18-10-5-4-6-11-18)19-12-8-7-9-17(19)3/h4-14,16,21,29H,15H2,1-3H3
InChIKeyDNYLRSVAQAXNTG-UHFFFAOYSA-N
XLogP3.41
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 67471676) is 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is Cc1ccccc1C(c1ccccc1)N1CN(C(C)C)C(=O)c2c(O)c(=O)ccn21.
What is the InChIKey of 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is DNYLRSVAQAXNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(2)25-15-27(26-14-13-20(28)23(29)22(26)24(25)30)21(18-10-5-4-6-11-18)19-12-8-7-9-17(19)3/h4-14,16,21,29H,15H2,1-3H3.
What are the key properties of 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 403.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(2-methylphenyl)-phenylmethyl]-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 67471676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).