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

C15H25N5O — CID 102629319

IUPAC4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CCC(N)C(C)C2(C)C)nc1C
InChIInChI=1S/C15H25N5O/c1-8-12(16)7-6-11(15(8,4)5)13(21)18-14-17-9(2)10(3)19-20-14/h8,11-12H,6-7,16H2,1-5H3,(H,17,18,20,21)
InChIKeyPUFASELWPGCFFU-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.83
Rot. Bonds2

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

4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629319) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629319
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CCC(N)C(C)C2(C)C)nc1C
InChIInChI=1S/C15H25N5O/c1-8-12(16)7-6-11(15(8,4)5)13(21)18-14-17-9(2)10(3)19-20-14/h8,11-12H,6-7,16H2,1-5H3,(H,17,18,20,21)
InChIKeyPUFASELWPGCFFU-UHFFFAOYSA-N
XLogP1.83
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629319) is 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide is Cc1nnc(NC(=O)C2CCC(N)C(C)C2(C)C)nc1C.
What is the InChIKey of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is PUFASELWPGCFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-8-12(16)7-6-11(15(8,4)5)13(21)18-14-17-9(2)10(3)19-20-14/h8,11-12H,6-7,16H2,1-5H3,(H,17,18,20,21).
What are the key properties of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).