5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide

C18H21N5O — CID 142966363

IUPAC5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide
SMILESCC(NC(=O)c1nnc(N(C)C)n1C)c1cccc2ccccc12
InChIInChI=1S/C18H21N5O/c1-12(14-11-7-9-13-8-5-6-10-15(13)14)19-17(24)16-20-21-18(22(2)3)23(16)4/h5-12H,1-4H3,(H,19,24)
InChIKeyKYWRWPYWDLAWAH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.53
Rot. Bonds4

About 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide

5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 142966363) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID142966363
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide
SMILESCC(NC(=O)c1nnc(N(C)C)n1C)c1cccc2ccccc12
InChIInChI=1S/C18H21N5O/c1-12(14-11-7-9-13-8-5-6-10-15(13)14)19-17(24)16-20-21-18(22(2)3)23(16)4/h5-12H,1-4H3,(H,19,24)
InChIKeyKYWRWPYWDLAWAH-UHFFFAOYSA-N
XLogP2.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
5-chloro-N-(1-naphthalen-1-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617813
1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide
CID 78778121
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732639
5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 27753913
4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231476

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide (CID 142966363) is 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide is CC(NC(=O)c1nnc(N(C)C)n1C)c1cccc2ccccc12.
What is the InChIKey of 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is KYWRWPYWDLAWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(14-11-7-9-13-8-5-6-10-15(13)14)19-17(24)16-20-21-18(22(2)3)23(16)4/h5-12H,1-4H3,(H,19,24).
What are the key properties of 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide?
5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4-methyl-N-(1-naphthalen-1-ylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142966363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).