N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine

C16H20N8S — CID 133420955

IUPACN,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(Sc2nnc(-c3ccccn3)n2C)nc(N(C)C)n1
InChIInChI=1S/C16H20N8S/c1-10(2)12-18-14(23(3)4)20-15(19-12)25-16-22-21-13(24(16)5)11-8-6-7-9-17-11/h6-10H,1-5H3
InChIKeyDFWDUQYFTKOOGL-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.40
Rot. Bonds5

About N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine

N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133420955) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133420955
Molecular FormulaC16H20N8S
Molecular Weight356.46 g/mol
Exact Mass356.15
IUPAC NameN,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(Sc2nnc(-c3ccccn3)n2C)nc(N(C)C)n1
InChIInChI=1S/C16H20N8S/c1-10(2)12-18-14(23(3)4)20-15(19-12)25-16-22-21-13(24(16)5)11-8-6-7-9-17-11/h6-10H,1-5H3
InChIKeyDFWDUQYFTKOOGL-UHFFFAOYSA-N
XLogP2.40
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 133421851
4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133416284
2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404753
5-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133443960
N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide
CID 71005914
N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopentane-1-carboxamide
CID 71005729
(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82125481
4-propan-2-yl-6-pyridin-2-yl-1,3,5-triazin-2-amine
CID 63868334
2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 1264926
6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 51279678
2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 126550801
2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134028629

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133420955) is N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(Sc2nnc(-c3ccccn3)n2C)nc(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is DFWDUQYFTKOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8S/c1-10(2)12-18-14(23(3)4)20-15(19-12)25-16-22-21-13(24(16)5)11-8-6-7-9-17-11/h6-10H,1-5H3.
What are the key properties of N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 356.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133420955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).