4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol

C17H15N5O — CID 118706212

IUPAC4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol
SMILESNc1nc2c3ccccc3nc(CCc3ccc(O)cc3)n2n1
InChIInChI=1S/C17H15N5O/c18-17-20-16-13-3-1-2-4-14(13)19-15(22(16)21-17)10-7-11-5-8-12(23)9-6-11/h1-6,8-9,23H,7,10H2,(H2,18,21)
InChIKeyOJAQULAXDKETDH-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.35
Rot. Bonds3

About 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol

4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol (PubChem CID 118706212) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol
PubChem CID118706212
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol
SMILESNc1nc2c3ccccc3nc(CCc3ccc(O)cc3)n2n1
InChIInChI=1S/C17H15N5O/c18-17-20-16-13-3-1-2-4-14(13)19-15(22(16)21-17)10-7-11-5-8-12(23)9-6-11/h1-6,8-9,23H,7,10H2,(H2,18,21)
InChIKeyOJAQULAXDKETDH-UHFFFAOYSA-N
XLogP2.35
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol?
The IUPAC name of 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol (CID 118706212) is 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol is Nc1nc2c3ccccc3nc(CCc3ccc(O)cc3)n2n1.
What is the InChIKey of 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol?
The InChIKey is OJAQULAXDKETDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-17-20-16-13-3-1-2-4-14(13)19-15(22(16)21-17)10-7-11-5-8-12(23)9-6-11/h1-6,8-9,23H,7,10H2,(H2,18,21).
What are the key properties of 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol?
4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol has a molecular weight of 305.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethyl]phenol is sourced from PubChem (CID 118706212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).