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

C13H13N5O — CID 743060

IUPAC4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol
SMILESCc1ccc(O)c(Nc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C13H13N5O/c1-8-3-4-11(19)10(5-8)17-12-6-9(2)16-13-14-7-15-18(12)13/h3-7,17,19H,1-2H3
InChIKeyKFQTZITXPGGRQA-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.19
Rot. Bonds2

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

4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol (PubChem CID 743060) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol
PubChem CID743060
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol
SMILESCc1ccc(O)c(Nc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C13H13N5O/c1-8-3-4-11(19)10(5-8)17-12-6-9(2)16-13-14-7-15-18(12)13/h3-7,17,19H,1-2H3
InChIKeyKFQTZITXPGGRQA-UHFFFAOYSA-N
XLogP2.19
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol?
The IUPAC name of 4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol (CID 743060) is 4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol.
What is the SMILES notation for 4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol?
The canonical SMILES for 4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol is Cc1ccc(O)c(Nc2cc(C)nc3ncnn23)c1.
What is the InChIKey of 4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol?
The InChIKey is KFQTZITXPGGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-3-4-11(19)10(5-8)17-12-6-9(2)16-13-14-7-15-18(12)13/h3-7,17,19H,1-2H3.
What are the key properties of 4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol?
4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol has a molecular weight of 255.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol is sourced from PubChem (CID 743060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).