2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol

C13H11N5O — CID 82370618

IUPAC2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol
SMILESNc1c(-c2cccnc2)nnn1-c1ccccc1O
InChIInChI=1S/C13H11N5O/c14-13-12(9-4-3-7-15-8-9)16-17-18(13)10-5-1-2-6-11(10)19/h1-8,19H,14H2
InChIKeyZPTTVUVZFSSLSZ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.62
Rot. Bonds2

About 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol

2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol (PubChem CID 82370618) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol.

Molecular Properties

Compound Name2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol
PubChem CID82370618
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol
SMILESNc1c(-c2cccnc2)nnn1-c1ccccc1O
InChIInChI=1S/C13H11N5O/c14-13-12(9-4-3-7-15-8-9)16-17-18(13)10-5-1-2-6-11(10)19/h1-8,19H,14H2
InChIKeyZPTTVUVZFSSLSZ-UHFFFAOYSA-N
XLogP1.62
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol?
The IUPAC name of 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol (CID 82370618) is 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol.
What is the SMILES notation for 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol?
The canonical SMILES for 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol is Nc1c(-c2cccnc2)nnn1-c1ccccc1O.
What is the InChIKey of 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol?
The InChIKey is ZPTTVUVZFSSLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-13-12(9-4-3-7-15-8-9)16-17-18(13)10-5-1-2-6-11(10)19/h1-8,19H,14H2.
What are the key properties of 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol?
2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol has a molecular weight of 253.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol is sourced from PubChem (CID 82370618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).