3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one

C15H20N4O — CID 135561208

IUPAC3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESCCNc1nnc(Cc2ccc(C(C)C)cc2)c(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-4-16-15-17-14(20)13(18-19-15)9-11-5-7-12(8-6-11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,19,20)
InChIKeyKKUFKTPSYOXXSW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds5

About 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one

3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one (PubChem CID 135561208) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
PubChem CID135561208
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESCCNc1nnc(Cc2ccc(C(C)C)cc2)c(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-4-16-15-17-14(20)13(18-19-15)9-11-5-7-12(8-6-11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,19,20)
InChIKeyKKUFKTPSYOXXSW-UHFFFAOYSA-N
XLogP2.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one (CID 135561208) is 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one is CCNc1nnc(Cc2ccc(C(C)C)cc2)c(=O)[nH]1.
What is the InChIKey of 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one?
The InChIKey is KKUFKTPSYOXXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-16-15-17-14(20)13(18-19-15)9-11-5-7-12(8-6-11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one?
3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one has a molecular weight of 272.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).