5,6-dimethyl-4-propan-2-yl-2H-benzotriazole

C11H15N3 — CID 170676330

IUPAC5,6-dimethyl-4-propan-2-yl-2H-benzotriazole
SMILESCc1cc2n[nH]nc2c(C(C)C)c1C
InChIInChI=1S/C11H15N3/c1-6(2)10-8(4)7(3)5-9-11(10)13-14-12-9/h5-6H,1-4H3,(H,12,13,14)
InChIKeyIHZDNJNSBUDGGE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.70
Rot. Bonds1

About 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole

5,6-dimethyl-4-propan-2-yl-2H-benzotriazole (PubChem CID 170676330) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole.

Molecular Properties

Compound Name5,6-dimethyl-4-propan-2-yl-2H-benzotriazole
PubChem CID170676330
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5,6-dimethyl-4-propan-2-yl-2H-benzotriazole
SMILESCc1cc2n[nH]nc2c(C(C)C)c1C
InChIInChI=1S/C11H15N3/c1-6(2)10-8(4)7(3)5-9-11(10)13-14-12-9/h5-6H,1-4H3,(H,12,13,14)
InChIKeyIHZDNJNSBUDGGE-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole?
The IUPAC name of 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole (CID 170676330) is 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole.
What is the SMILES notation for 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole?
The canonical SMILES for 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole is Cc1cc2n[nH]nc2c(C(C)C)c1C.
What is the InChIKey of 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole?
The InChIKey is IHZDNJNSBUDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-6(2)10-8(4)7(3)5-9-11(10)13-14-12-9/h5-6H,1-4H3,(H,12,13,14).
What are the key properties of 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole?
5,6-dimethyl-4-propan-2-yl-2H-benzotriazole has a molecular weight of 189.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-propan-2-yl-2H-benzotriazole is sourced from PubChem (CID 170676330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).