5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine

C14H16N4OS — CID 143652167

IUPAC5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(C)s1.Cc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H7N3.C7H9NOS/c1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-4-7(10-5)6(2)8-9/h2-4H,1H3,(H,8,9,10);3-4,9H,1-2H3/b;8-6-
InChIKeySWUNSNDKDCVAND-SEUOEIGTSA-N
MW288.38 g/mol
LogP3.52
Rot. Bonds1

About 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine

5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine (PubChem CID 143652167) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine
PubChem CID143652167
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(C)s1.Cc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H7N3.C7H9NOS/c1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-4-7(10-5)6(2)8-9/h2-4H,1H3,(H,8,9,10);3-4,9H,1-2H3/b;8-6-
InChIKeySWUNSNDKDCVAND-SEUOEIGTSA-N
XLogP3.52
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine?
The IUPAC name of 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine (CID 143652167) is 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine is C/C(=N/O)c1ccc(C)s1.Cc1ccc2n[nH]nc2c1.
What is the InChIKey of 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine?
The InChIKey is SWUNSNDKDCVAND-SEUOEIGTSA-N. The full InChI is InChI=1S/C7H7N3.C7H9NOS/c1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-4-7(10-5)6(2)8-9/h2-4H,1H3,(H,8,9,10);3-4,9H,1-2H3/b;8-6-.
What are the key properties of 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine?
5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine has a molecular weight of 288.38 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 143652167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).