7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C19H16N8O — CID 170452775

IUPAC7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(NCCc2ccc(O)cc2)nc2nc(-c3cccnc3)nn2c1N
InChIInChI=1S/C19H16N8O/c20-10-15-16(21)27-19(24-17(26-27)13-2-1-8-22-11-13)25-18(15)23-9-7-12-3-5-14(28)6-4-12/h1-6,8,11,28H,7,9,21H2,(H,23,24,25,26)
InChIKeyBAPJULDLBLUSEK-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.00
Rot. Bonds5

About 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 170452775) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID170452775
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(NCCc2ccc(O)cc2)nc2nc(-c3cccnc3)nn2c1N
InChIInChI=1S/C19H16N8O/c20-10-15-16(21)27-19(24-17(26-27)13-2-1-8-22-11-13)25-18(15)23-9-7-12-3-5-14(28)6-4-12/h1-6,8,11,28H,7,9,21H2,(H,23,24,25,26)
InChIKeyBAPJULDLBLUSEK-UHFFFAOYSA-N
XLogP2.00
TPSA138.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile with MolForge

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Related Compounds

7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 170452769
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 170452748
4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086266
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567404
4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]benzenesulfonamide
CID 67359486
2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5088040
(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103317716
2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
CID 139599968
5-amino-6-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 103467700
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
CID 36722480

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 170452775) is 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1c(NCCc2ccc(O)cc2)nc2nc(-c3cccnc3)nn2c1N.
What is the InChIKey of 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is BAPJULDLBLUSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c20-10-15-16(21)27-19(24-17(26-27)13-2-1-8-22-11-13)25-18(15)23-9-7-12-3-5-14(28)6-4-12/h1-6,8,11,28H,7,9,21H2,(H,23,24,25,26).
What are the key properties of 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 372.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 170452775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).