2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine

C8H10ClN7OS — CID 55125472

IUPAC2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H10ClN7OS/c1-4(2)17-6-10-5(9)11-7(12-6)18-8-13-14-15-16(8)3/h4H,1-3H3
InChIKeyKIUWRGHWQLECQM-UHFFFAOYSA-N
MW287.74 g/mol
LogP0.99
Rot. Bonds4

About 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 55125472) has the molecular formula C8H10ClN7OS and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
PubChem CID55125472
Molecular FormulaC8H10ClN7OS
Molecular Weight287.74 g/mol
Exact Mass287.04
IUPAC Name2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H10ClN7OS/c1-4(2)17-6-10-5(9)11-7(12-6)18-8-13-14-15-16(8)3/h4H,1-3H3
InChIKeyKIUWRGHWQLECQM-UHFFFAOYSA-N
XLogP0.99
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80886826
4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80888245
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62867050
2-chloro-4-(2-methylfuran-3-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 114000821
4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 89206264
5-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739069
N-ethyl-4-methoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80887079
4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887985
2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 107751046
2-chloro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 60726872
ethyl 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 55125151
2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106794790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine (CID 55125472) is 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(Sc2nnnn2C)n1.
What is the InChIKey of 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is KIUWRGHWQLECQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN7OS/c1-4(2)17-6-10-5(9)11-7(12-6)18-8-13-14-15-16(8)3/h4H,1-3H3.
What are the key properties of 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 287.74 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 55125472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).