N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide

C16H16N4OS — CID 11232205

IUPACN,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide
SMILESCSc1nc(-c2ccc3ccccc3c2)nn1C(=O)N(C)C
InChIInChI=1S/C16H16N4OS/c1-19(2)16(21)20-15(22-3)17-14(18-20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3
InChIKeyFCWFKSMUNCZMFT-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.35
Rot. Bonds2

About N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide

N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide (PubChem CID 11232205) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide
PubChem CID11232205
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide
SMILESCSc1nc(-c2ccc3ccccc3c2)nn1C(=O)N(C)C
InChIInChI=1S/C16H16N4OS/c1-19(2)16(21)20-15(22-3)17-14(18-20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3
InChIKeyFCWFKSMUNCZMFT-UHFFFAOYSA-N
XLogP3.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-(methylthio)-3-p-tolyl-1H-1,2,4-triazole-1-carboxamide
CID 11425872
3-Biphenyl-4-yl-5-methylsulfanyl-[1,2,4]triazole-1-carboxylic acid dimethylamide
CID 12995052
N,N-dimethyl-5-(methylthio)-3-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-1-carboxamide
CID 11221206
5-(hexylthio)-N,N-dimethyl-3-p-tolyl-1H-1,2,4-triazole-1-carboxamide
CID 11772375
N,N-dimethyl-5-(methylthio)-3-(naphthalen-1-yl)-1H-1,2,4-triazole-1-carboxamide
CID 44568831
4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-
CID 3087999
3-(Methanesulfinyl)-4-methyl-5-(naphthalen-2-yl)-4H-1,2,4-triazole
CID 3088002
4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-
CID 3088004
4-Methyl-3-methylsulfinyl-5-naphthalen-1-yl-1,2,4-triazole
CID 44275199
4-Methyl-3-methylsulfonyl-5-naphthalen-1-yl-1,2,4-triazole
CID 44275649
4-Methyl-3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazole
CID 44275857
2-((4-ET-5-PH-4H-1,2,4-Triazol-3-YL)thio)-N'-(1-naphthylmethylene)acetohydrazide
CID 6887626

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide?
The IUPAC name of N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide (CID 11232205) is N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide is CSc1nc(-c2ccc3ccccc3c2)nn1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide?
The InChIKey is FCWFKSMUNCZMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-19(2)16(21)20-15(22-3)17-14(18-20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3.
What are the key properties of N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide?
N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-methylsulfanyl-3-naphthalen-2-yl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 11232205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).