4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol

C17H15N5O — CID 7338337

IUPAC4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol
SMILESCc1cccc(Nc2c(-c3ccc(O)cc3)nc3nc[nH]n23)c1
InChIInChI=1S/C17H15N5O/c1-11-3-2-4-13(9-11)20-16-15(12-5-7-14(23)8-6-12)21-17-18-10-19-22(16)17/h2-10,20,23H,1H3,(H,18,19,21)
InChIKeyWKDPCNWJPOONBU-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.48
Rot. Bonds3

About 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol

4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol (PubChem CID 7338337) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol.

Molecular Properties

Compound Name4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol
PubChem CID7338337
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol
SMILESCc1cccc(Nc2c(-c3ccc(O)cc3)nc3nc[nH]n23)c1
InChIInChI=1S/C17H15N5O/c1-11-3-2-4-13(9-11)20-16-15(12-5-7-14(23)8-6-12)21-17-18-10-19-22(16)17/h2-10,20,23H,1H3,(H,18,19,21)
InChIKeyWKDPCNWJPOONBU-UHFFFAOYSA-N
XLogP3.48
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol?
The IUPAC name of 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol (CID 7338337) is 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol.
What is the SMILES notation for 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol?
The canonical SMILES for 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol is Cc1cccc(Nc2c(-c3ccc(O)cc3)nc3nc[nH]n23)c1.
What is the InChIKey of 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol?
The InChIKey is WKDPCNWJPOONBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-3-2-4-13(9-11)20-16-15(12-5-7-14(23)8-6-12)21-17-18-10-19-22(16)17/h2-10,20,23H,1H3,(H,18,19,21).
What are the key properties of 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol?
4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol has a molecular weight of 305.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methylanilino)-1H-imidazo[1,2-b][1,2,4]triazol-5-yl]phenol is sourced from PubChem (CID 7338337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).