3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol

C15H17N5O — CID 177377415

IUPAC3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol
SMILESCc1nc2ncnn2c(N(C)C)c1Cc1cccc(O)c1
InChIInChI=1S/C15H17N5O/c1-10-13(8-11-5-4-6-12(21)7-11)14(19(2)3)20-15(18-10)16-9-17-20/h4-7,9,21H,8H2,1-3H3
InChIKeyTYADPSVGAMYKRB-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.80
Rot. Bonds3

About 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol

3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol (PubChem CID 177377415) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol
PubChem CID177377415
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol
SMILESCc1nc2ncnn2c(N(C)C)c1Cc1cccc(O)c1
InChIInChI=1S/C15H17N5O/c1-10-13(8-11-5-4-6-12(21)7-11)14(19(2)3)20-15(18-10)16-9-17-20/h4-7,9,21H,8H2,1-3H3
InChIKeyTYADPSVGAMYKRB-UHFFFAOYSA-N
XLogP1.80
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol?
The IUPAC name of 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol (CID 177377415) is 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol.
What is the SMILES notation for 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol?
The canonical SMILES for 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol is Cc1nc2ncnn2c(N(C)C)c1Cc1cccc(O)c1.
What is the InChIKey of 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol?
The InChIKey is TYADPSVGAMYKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-13(8-11-5-4-6-12(21)7-11)14(19(2)3)20-15(18-10)16-9-17-20/h4-7,9,21H,8H2,1-3H3.
What are the key properties of 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol?
3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol has a molecular weight of 283.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenol is sourced from PubChem (CID 177377415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).