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

C8H10ClN7S — CID 62866167

IUPAC4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCc1nc(Sc2nc(Cl)nc(N(C)C)n2)n[nH]1
InChIInChI=1S/C8H10ClN7S/c1-4-10-8(15-14-4)17-7-12-5(9)11-6(13-7)16(2)3/h1-3H3,(H,10,14,15)
InChIKeyDWOOJMJEXHJJIS-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.17
Rot. Bonds3

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

4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 62866167) has the molecular formula C8H10ClN7S and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID62866167
Molecular FormulaC8H10ClN7S
Molecular Weight271.74 g/mol
Exact Mass271.04
IUPAC Name4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCc1nc(Sc2nc(Cl)nc(N(C)C)n2)n[nH]1
InChIInChI=1S/C8H10ClN7S/c1-4-10-8(15-14-4)17-7-12-5(9)11-6(13-7)16(2)3/h1-3H3,(H,10,14,15)
InChIKeyDWOOJMJEXHJJIS-UHFFFAOYSA-N
XLogP1.17
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 62866167) is 4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is Cc1nc(Sc2nc(Cl)nc(N(C)C)n2)n[nH]1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is DWOOJMJEXHJJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN7S/c1-4-10-8(15-14-4)17-7-12-5(9)11-6(13-7)16(2)3/h1-3H3,(H,10,14,15).
What are the key properties of 4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 271.74 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62866167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).