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

C10H14ClN7S — CID 55125335

IUPAC4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C10H14ClN7S/c1-4-18(5-2)8-13-7(11)14-9(15-8)19-10-12-6(3)16-17-10/h4-5H2,1-3H3,(H,12,16,17)
InChIKeyWYEZHKFUIQJSOB-UHFFFAOYSA-N
MW299.79 g/mol
LogP1.95
Rot. Bonds5

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

4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 55125335) has the molecular formula C10H14ClN7S and a molecular weight of 299.79 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID55125335
Molecular FormulaC10H14ClN7S
Molecular Weight299.79 g/mol
Exact Mass299.07
IUPAC Name4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C10H14ClN7S/c1-4-18(5-2)8-13-7(11)14-9(15-8)19-10-12-6(3)16-17-10/h4-5H2,1-3H3,(H,12,16,17)
InChIKeyWYEZHKFUIQJSOB-UHFFFAOYSA-N
XLogP1.95
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.79
LogP ≤ 51.95
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-diethyl-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-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 55125335) is 4-chloro-N,N-diethyl-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-diethyl-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-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Sc2n[nH]c(C)n2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is WYEZHKFUIQJSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7S/c1-4-18(5-2)8-13-7(11)14-9(15-8)19-10-12-6(3)16-17-10/h4-5H2,1-3H3,(H,12,16,17).
What are the key properties of 4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 299.79 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 55125335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).