3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol

C16H13N5O — CID 777193

IUPAC3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol
SMILESCc1cc(Nc2cc3ccccc3cc2O)n2ncnc2n1
InChIInChI=1S/C16H13N5O/c1-10-6-15(21-16(19-10)17-9-18-21)20-13-7-11-4-2-3-5-12(11)8-14(13)22/h2-9,20,22H,1H3
InChIKeyOMQCQQGZRWJBCI-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.04
Rot. Bonds2

About 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol

3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol (PubChem CID 777193) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol
PubChem CID777193
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol
SMILESCc1cc(Nc2cc3ccccc3cc2O)n2ncnc2n1
InChIInChI=1S/C16H13N5O/c1-10-6-15(21-16(19-10)17-9-18-21)20-13-7-11-4-2-3-5-12(11)8-14(13)22/h2-9,20,22H,1H3
InChIKeyOMQCQQGZRWJBCI-UHFFFAOYSA-N
XLogP3.04
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol?
The IUPAC name of 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol (CID 777193) is 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol.
What is the SMILES notation for 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol?
The canonical SMILES for 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol is Cc1cc(Nc2cc3ccccc3cc2O)n2ncnc2n1.
What is the InChIKey of 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol?
The InChIKey is OMQCQQGZRWJBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-10-6-15(21-16(19-10)17-9-18-21)20-13-7-11-4-2-3-5-12(11)8-14(13)22/h2-9,20,22H,1H3.
What are the key properties of 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol?
3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol has a molecular weight of 291.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol is sourced from PubChem (CID 777193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).