N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C11H15N7OS — CID 114389392

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2nnc(C)c(C)n2)s1
InChIInChI=1S/C11H15N7OS/c1-4-5-12-11-18-16-9(20-11)8(19)14-10-13-6(2)7(3)15-17-10/h4-5H2,1-3H3,(H,12,18)(H,13,14,17,19)
InChIKeyYMLMIAOVZYEHRQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.41
Rot. Bonds5

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114389392) has the molecular formula C11H15N7OS and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID114389392
Molecular FormulaC11H15N7OS
Molecular Weight293.36 g/mol
Exact Mass293.11
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2nnc(C)c(C)n2)s1
InChIInChI=1S/C11H15N7OS/c1-4-5-12-11-18-16-9(20-11)8(19)14-10-13-6(2)7(3)15-17-10/h4-5H2,1-3H3,(H,12,18)(H,13,14,17,19)
InChIKeyYMLMIAOVZYEHRQ-UHFFFAOYSA-N
XLogP1.41
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106377361
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide
CID 114389334
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618974
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 114389388
N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616815
N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615091
N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 104725156
N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619227
N-[2-(tert-butylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357213
N-(4-chloro-2-iodophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107631539

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 114389392) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)Nc2nnc(C)c(C)n2)s1.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YMLMIAOVZYEHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS/c1-4-5-12-11-18-16-9(20-11)8(19)14-10-13-6(2)7(3)15-17-10/h4-5H2,1-3H3,(H,12,18)(H,13,14,17,19).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114389392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).