N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C18H25N5O2 — CID 56800632

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CC(=O)N(C)C)nn1-c1ccccc1C(C)C
InChIInChI=1S/C18H25N5O2/c1-12(2)14-9-7-8-10-15(14)23-13(3)19-17(20-23)18(25)22(6)11-16(24)21(4)5/h7-10,12H,11H2,1-6H3
InChIKeyRJTHKGRPNUJHDE-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 56800632) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID56800632
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CC(=O)N(C)C)nn1-c1ccccc1C(C)C
InChIInChI=1S/C18H25N5O2/c1-12(2)14-9-7-8-10-15(14)23-13(3)19-17(20-23)18(25)22(6)11-16(24)21(4)5/h7-10,12H,11H2,1-6H3
InChIKeyRJTHKGRPNUJHDE-UHFFFAOYSA-N
XLogP1.86
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 56800632) is N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)CC(=O)N(C)C)nn1-c1ccccc1C(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is RJTHKGRPNUJHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)14-9-7-8-10-15(14)23-13(3)19-17(20-23)18(25)22(6)11-16(24)21(4)5/h7-10,12H,11H2,1-6H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 56800632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).