4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide

C13H21N5O — CID 102629320

IUPAC4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2nccnn2)C1(C)C
InChIInChI=1S/C13H21N5O/c1-8-10(14)5-4-9(13(8,2)3)11(19)17-12-15-6-7-16-18-12/h6-10H,4-5,14H2,1-3H3,(H,15,17,18,19)
InChIKeyWXRMXRHNDMQUBT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.21
Rot. Bonds2

About 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide (PubChem CID 102629320) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide
PubChem CID102629320
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2nccnn2)C1(C)C
InChIInChI=1S/C13H21N5O/c1-8-10(14)5-4-9(13(8,2)3)11(19)17-12-15-6-7-16-18-12/h6-10H,4-5,14H2,1-3H3,(H,15,17,18,19)
InChIKeyWXRMXRHNDMQUBT-UHFFFAOYSA-N
XLogP1.21
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide (CID 102629320) is 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)Nc2nccnn2)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is WXRMXRHNDMQUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-8-10(14)5-4-9(13(8,2)3)11(19)17-12-15-6-7-16-18-12/h6-10H,4-5,14H2,1-3H3,(H,15,17,18,19).
What are the key properties of 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-(1,2,4-triazin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102629320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).