1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide

C12H21N7O — CID 34682450

IUPAC1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide
SMILESCN(C)c1nc(N)nc(CN2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H21N7O/c1-18(2)12-16-9(15-11(14)17-12)7-19-5-3-8(4-6-19)10(13)20/h8H,3-7H2,1-2H3,(H2,13,20)(H2,14,15,16,17)
InChIKeySKLFNCJGNMIEAQ-UHFFFAOYSA-N
MW279.35 g/mol
LogP-0.78
Rot. Bonds4

About 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 34682450) has the molecular formula C12H21N7O and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide
PubChem CID34682450
Molecular FormulaC12H21N7O
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide
SMILESCN(C)c1nc(N)nc(CN2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H21N7O/c1-18(2)12-16-9(15-11(14)17-12)7-19-5-3-8(4-6-19)10(13)20/h8H,3-7H2,1-2H3,(H2,13,20)(H2,14,15,16,17)
InChIKeySKLFNCJGNMIEAQ-UHFFFAOYSA-N
XLogP-0.78
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide (CID 34682450) is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide is CN(C)c1nc(N)nc(CN2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is SKLFNCJGNMIEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O/c1-18(2)12-16-9(15-11(14)17-12)7-19-5-3-8(4-6-19)10(13)20/h8H,3-7H2,1-2H3,(H2,13,20)(H2,14,15,16,17).
What are the key properties of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide?
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 279.35 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 34682450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).