3-chloro-6-propan-2-yl-1,2,4-benzotriazine

C10H10ClN3 — CID 91214432

IUPAC3-chloro-6-propan-2-yl-1,2,4-benzotriazine
SMILESCC(C)c1ccc2nnc(Cl)nc2c1
InChIInChI=1S/C10H10ClN3/c1-6(2)7-3-4-8-9(5-7)12-10(11)14-13-8/h3-6H,1-2H3
InChIKeyZRNBCIZKMVRAOW-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.80
Rot. Bonds1

About 3-chloro-6-propan-2-yl-1,2,4-benzotriazine

3-chloro-6-propan-2-yl-1,2,4-benzotriazine (PubChem CID 91214432) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-chloro-6-propan-2-yl-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-chloro-6-propan-2-yl-1,2,4-benzotriazine
PubChem CID91214432
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name3-chloro-6-propan-2-yl-1,2,4-benzotriazine
SMILESCC(C)c1ccc2nnc(Cl)nc2c1
InChIInChI=1S/C10H10ClN3/c1-6(2)7-3-4-8-9(5-7)12-10(11)14-13-8/h3-6H,1-2H3
InChIKeyZRNBCIZKMVRAOW-UHFFFAOYSA-N
XLogP2.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-propan-2-yl-1,2,4-benzotriazine?
The IUPAC name of 3-chloro-6-propan-2-yl-1,2,4-benzotriazine (CID 91214432) is 3-chloro-6-propan-2-yl-1,2,4-benzotriazine.
What is the SMILES notation for 3-chloro-6-propan-2-yl-1,2,4-benzotriazine?
The canonical SMILES for 3-chloro-6-propan-2-yl-1,2,4-benzotriazine is CC(C)c1ccc2nnc(Cl)nc2c1.
What is the InChIKey of 3-chloro-6-propan-2-yl-1,2,4-benzotriazine?
The InChIKey is ZRNBCIZKMVRAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-6(2)7-3-4-8-9(5-7)12-10(11)14-13-8/h3-6H,1-2H3.
What are the key properties of 3-chloro-6-propan-2-yl-1,2,4-benzotriazine?
3-chloro-6-propan-2-yl-1,2,4-benzotriazine has a molecular weight of 207.66 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-propan-2-yl-1,2,4-benzotriazine is sourced from PubChem (CID 91214432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).