1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine

C19H25N7 — CID 161246288

IUPAC1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine
SMILESCC(C)(C)n1nnc2ccccc21.CC(C)(C)n1nnc2cccnc21
InChIInChI=1S/C10H13N3.C9H12N4/c1-10(2,3)13-9-7-5-4-6-8(9)11-12-13;1-9(2,3)13-8-7(11-12-13)5-4-6-10-8/h4-7H,1-3H3;4-6H,1-3H3
InChIKeyVARKJNXGLGHPHQ-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.77
Rot. Bonds

About 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine

1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine (PubChem CID 161246288) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine
PubChem CID161246288
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine
SMILESCC(C)(C)n1nnc2ccccc21.CC(C)(C)n1nnc2cccnc21
InChIInChI=1S/C10H13N3.C9H12N4/c1-10(2,3)13-9-7-5-4-6-8(9)11-12-13;1-9(2,3)13-8-7(11-12-13)5-4-6-10-8/h4-7H,1-3H3;4-6H,1-3H3
InChIKeyVARKJNXGLGHPHQ-UHFFFAOYSA-N
XLogP3.77
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-tert-butylbenzotriazole;1-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine
CID 160542189
1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole
CID 4311537
1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 70885057
3-tert-butyltriazolo[4,5-c]pyridine
CID 59421443
[1-(benzotriazol-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethyl]-trimethylsilane
CID 3405189
1-(3-methyl-2-phenylsulfanylbutan-2-yl)benzotriazole
CID 3803457
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
2-(benzotriazol-1-yl)-2,2-difluoroethanol
CID 118312748
1-tert-butyl-5-fluorobenzotriazole
CID 90305925
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine?
The IUPAC name of 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine (CID 161246288) is 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine.
What is the SMILES notation for 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine?
The canonical SMILES for 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine is CC(C)(C)n1nnc2ccccc21.CC(C)(C)n1nnc2cccnc21.
What is the InChIKey of 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine?
The InChIKey is VARKJNXGLGHPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C9H12N4/c1-10(2,3)13-9-7-5-4-6-8(9)11-12-13;1-9(2,3)13-8-7(11-12-13)5-4-6-10-8/h4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine?
1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine has a molecular weight of 351.46 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine is sourced from PubChem (CID 161246288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).