6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide

C13H23N5O — CID 114387463

IUPAC6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide
SMILESCc1nnc(NC(=O)CCC(C)(C)CCN)nc1C
InChIInChI=1S/C13H23N5O/c1-9-10(2)17-18-12(15-9)16-11(19)5-6-13(3,4)7-8-14/h5-8,14H2,1-4H3,(H,15,16,18,19)
InChIKeyUFAGMDUBOXMWOH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds6

About 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide

6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide (PubChem CID 114387463) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide
PubChem CID114387463
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide
SMILESCc1nnc(NC(=O)CCC(C)(C)CCN)nc1C
InChIInChI=1S/C13H23N5O/c1-9-10(2)17-18-12(15-9)16-11(19)5-6-13(3,4)7-8-14/h5-8,14H2,1-4H3,(H,15,16,18,19)
InChIKeyUFAGMDUBOXMWOH-UHFFFAOYSA-N
XLogP1.58
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide (CID 114387463) is 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide is Cc1nnc(NC(=O)CCC(C)(C)CCN)nc1C.
What is the InChIKey of 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide?
The InChIKey is UFAGMDUBOXMWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-10(2)17-18-12(15-9)16-11(19)5-6-13(3,4)7-8-14/h5-8,14H2,1-4H3,(H,15,16,18,19).
What are the key properties of 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide?
6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide has a molecular weight of 265.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylhexanamide is sourced from PubChem (CID 114387463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).