4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine

C6H6ClN7S — CID 104604953

IUPAC4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCn1ncnc1Sc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H6ClN7S/c1-14-6(9-2-10-14)15-5-12-3(7)11-4(8)13-5/h2H,1H3,(H2,8,11,12,13)
InChIKeySYFLKXXIEICZNZ-UHFFFAOYSA-N
MW243.68 g/mol
LogP0.39
Rot. Bonds2

About 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine

4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 104604953) has the molecular formula C6H6ClN7S and a molecular weight of 243.68 g/mol. Its IUPAC name is 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID104604953
Molecular FormulaC6H6ClN7S
Molecular Weight243.68 g/mol
Exact Mass243.01
IUPAC Name4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCn1ncnc1Sc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H6ClN7S/c1-14-6(9-2-10-14)15-5-12-3(7)11-4(8)13-5/h2H,1H3,(H2,8,11,12,13)
InChIKeySYFLKXXIEICZNZ-UHFFFAOYSA-N
XLogP0.39
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine
CID 104603389
2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603400
2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603418
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80892466
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine
CID 104787572
2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603377
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 102989027
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 104604869
2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 104604969
[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 104603463
5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
CID 104604017
4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603371

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 104604953) is 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is Cn1ncnc1Sc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is SYFLKXXIEICZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN7S/c1-14-6(9-2-10-14)15-5-12-3(7)11-4(8)13-5/h2H,1H3,(H2,8,11,12,13).
What are the key properties of 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 243.68 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 104604953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).