6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one

C10H19N5O — CID 21277257

IUPAC6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one
SMILESCNn1c(N(C)C)nnc(C(C)(C)C)c1=O
InChIInChI=1S/C10H19N5O/c1-10(2,3)7-8(16)15(11-4)9(13-12-7)14(5)6/h11H,1-6H3
InChIKeyRRZHUYYDILDFLD-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.18
Rot. Bonds2

About 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one

6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one (PubChem CID 21277257) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one
PubChem CID21277257
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one
SMILESCNn1c(N(C)C)nnc(C(C)(C)C)c1=O
InChIInChI=1S/C10H19N5O/c1-10(2,3)7-8(16)15(11-4)9(13-12-7)14(5)6/h11H,1-6H3
InChIKeyRRZHUYYDILDFLD-UHFFFAOYSA-N
XLogP0.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one?
The IUPAC name of 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one (CID 21277257) is 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one.
What is the SMILES notation for 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one?
The canonical SMILES for 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one is CNn1c(N(C)C)nnc(C(C)(C)C)c1=O.
What is the InChIKey of 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one?
The InChIKey is RRZHUYYDILDFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-10(2,3)7-8(16)15(11-4)9(13-12-7)14(5)6/h11H,1-6H3.
What are the key properties of 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one?
6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one has a molecular weight of 225.30 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one is sourced from PubChem (CID 21277257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).