1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol

C13H15N7O — CID 57472258

IUPAC1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(Nc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C13H15N7O/c1-8(21)7-14-13-16-11(10-12(17-13)19-20-18-10)15-9-5-3-2-4-6-9/h2-6,8,21H,7H2,1H3,(H3,14,15,16,17,18,19,20)
InChIKeyQJYJGYSLYLKGOR-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.28
Rot. Bonds5

About 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol

1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol (PubChem CID 57472258) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol
PubChem CID57472258
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(Nc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C13H15N7O/c1-8(21)7-14-13-16-11(10-12(17-13)19-20-18-10)15-9-5-3-2-4-6-9/h2-6,8,21H,7H2,1H3,(H3,14,15,16,17,18,19,20)
InChIKeyQJYJGYSLYLKGOR-UHFFFAOYSA-N
XLogP1.28
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol (CID 57472258) is 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol is CC(O)CNc1nc(Nc2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol?
The InChIKey is QJYJGYSLYLKGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-8(21)7-14-13-16-11(10-12(17-13)19-20-18-10)15-9-5-3-2-4-6-9/h2-6,8,21H,7H2,1H3,(H3,14,15,16,17,18,19,20).
What are the key properties of 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol?
1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol has a molecular weight of 285.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol is sourced from PubChem (CID 57472258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).