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

C13H13N5O — CID 115598697

IUPAC2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
SMILESCc1cc(NCc2ccccc2O)n2ncnc2n1
InChIInChI=1S/C13H13N5O/c1-9-6-12(18-13(17-9)15-8-16-18)14-7-10-4-2-3-5-11(10)19/h2-6,8,14,19H,7H2,1H3
InChIKeyGEBMSCNVJXAPQA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.75
Rot. Bonds3

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

2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol (PubChem CID 115598697) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
PubChem CID115598697
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
SMILESCc1cc(NCc2ccccc2O)n2ncnc2n1
InChIInChI=1S/C13H13N5O/c1-9-6-12(18-13(17-9)15-8-16-18)14-7-10-4-2-3-5-11(10)19/h2-6,8,14,19H,7H2,1H3
InChIKeyGEBMSCNVJXAPQA-UHFFFAOYSA-N
XLogP1.75
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61401875
1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326361
5-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 39771868
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60506261
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816833
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279612
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60965953
N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63760131
5-methyl-N-[[4-(3-methylphenyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133307758
5-methyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71887377
N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324128

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol (CID 115598697) is 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol is Cc1cc(NCc2ccccc2O)n2ncnc2n1.
What is the InChIKey of 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol?
The InChIKey is GEBMSCNVJXAPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-6-12(18-13(17-9)15-8-16-18)14-7-10-4-2-3-5-11(10)19/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol?
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol has a molecular weight of 255.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol is sourced from PubChem (CID 115598697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).