4-chloro-6-propan-2-ylthieno[3,2-d]triazine

C8H8ClN3S — CID 115028536

IUPAC4-chloro-6-propan-2-ylthieno[3,2-d]triazine
SMILESCC(C)c1cc2nnnc(Cl)c2s1
InChIInChI=1S/C8H8ClN3S/c1-4(2)6-3-5-7(13-6)8(9)11-12-10-5/h3-4H,1-2H3
InChIKeyMTUDPDPBKLRILS-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-6-propan-2-ylthieno[3,2-d]triazine

4-chloro-6-propan-2-ylthieno[3,2-d]triazine (PubChem CID 115028536) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 4-chloro-6-propan-2-ylthieno[3,2-d]triazine.

Molecular Properties

Compound Name4-chloro-6-propan-2-ylthieno[3,2-d]triazine
PubChem CID115028536
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name4-chloro-6-propan-2-ylthieno[3,2-d]triazine
SMILESCC(C)c1cc2nnnc(Cl)c2s1
InChIInChI=1S/C8H8ClN3S/c1-4(2)6-3-5-7(13-6)8(9)11-12-10-5/h3-4H,1-2H3
InChIKeyMTUDPDPBKLRILS-UHFFFAOYSA-N
XLogP2.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-ylthieno[3,2-d]triazine?
The IUPAC name of 4-chloro-6-propan-2-ylthieno[3,2-d]triazine (CID 115028536) is 4-chloro-6-propan-2-ylthieno[3,2-d]triazine.
What is the SMILES notation for 4-chloro-6-propan-2-ylthieno[3,2-d]triazine?
The canonical SMILES for 4-chloro-6-propan-2-ylthieno[3,2-d]triazine is CC(C)c1cc2nnnc(Cl)c2s1.
What is the InChIKey of 4-chloro-6-propan-2-ylthieno[3,2-d]triazine?
The InChIKey is MTUDPDPBKLRILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c1-4(2)6-3-5-7(13-6)8(9)11-12-10-5/h3-4H,1-2H3.
What are the key properties of 4-chloro-6-propan-2-ylthieno[3,2-d]triazine?
4-chloro-6-propan-2-ylthieno[3,2-d]triazine has a molecular weight of 213.69 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-ylthieno[3,2-d]triazine is sourced from PubChem (CID 115028536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).