5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol

C13H14N6O2 — CID 162644261

IUPAC5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol
SMILESCN(C)c1cc2nc(-c3cc(O)cc(O)c3)nn2c(N)n1
InChIInChI=1S/C13H14N6O2/c1-18(2)10-6-11-15-12(17-19(11)13(14)16-10)7-3-8(20)5-9(21)4-7/h3-6,20-21H,1-2H3,(H2,14,16)
InChIKeyMDDZKCWLMVOQKR-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.85
Rot. Bonds2

About 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol

5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol (PubChem CID 162644261) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol
PubChem CID162644261
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol
SMILESCN(C)c1cc2nc(-c3cc(O)cc(O)c3)nn2c(N)n1
InChIInChI=1S/C13H14N6O2/c1-18(2)10-6-11-15-12(17-19(11)13(14)16-10)7-3-8(20)5-9(21)4-7/h3-6,20-21H,1-2H3,(H2,14,16)
InChIKeyMDDZKCWLMVOQKR-UHFFFAOYSA-N
XLogP0.85
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-Amino-[1,2,4]triazolo[1,5-C]quinazolin-5-Ylmethyl)-Benzene-1,3-Diol
CID 69927927
5-amino-2-(3,5-dihydroxyphenyl)-N-ethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
CID 162659823
5-[5-Amino-7-(benzylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol
CID 162672425
3-[5-Amino-7-(benzylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
CID 162672722
2-(3,5-dimethoxyphenyl)-7-N,7-N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 162654135
7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 162668271
7-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 162669624
3-[5-Amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
CID 105528250
3-[5-Amino-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 105528253
5-[[[3-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol
CID 167756191
N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
CID 3229976
2,4-Dihydroxy-3-methylbenzaldehyde (3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazone
CID 135411495

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol?
The IUPAC name of 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol (CID 162644261) is 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol?
The canonical SMILES for 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol is CN(C)c1cc2nc(-c3cc(O)cc(O)c3)nn2c(N)n1.
What is the InChIKey of 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol?
The InChIKey is MDDZKCWLMVOQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-18(2)10-6-11-15-12(17-19(11)13(14)16-10)7-3-8(20)5-9(21)4-7/h3-6,20-21H,1-2H3,(H2,14,16).
What are the key properties of 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol?
5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol has a molecular weight of 286.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 162644261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).