7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C16H19N5O3 — CID 3433421

IUPAC7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cccc(O)c2)n2nc(CCCO)nc2N1
InChIInChI=1S/C16H19N5O3/c1-9-13(15(17)24)14(10-4-2-5-11(23)8-10)21-16(18-9)19-12(20-21)6-3-7-22/h2,4-5,8,14,22-23H,3,6-7H2,1H3,(H2,17,24)(H,18,19,20)
InChIKeyKWCNAJJDQZJXCI-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.68
Rot. Bonds5

About 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3433421) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3433421
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cccc(O)c2)n2nc(CCCO)nc2N1
InChIInChI=1S/C16H19N5O3/c1-9-13(15(17)24)14(10-4-2-5-11(23)8-10)21-16(18-9)19-12(20-21)6-3-7-22/h2,4-5,8,14,22-23H,3,6-7H2,1H3,(H2,17,24)(H,18,19,20)
InChIKeyKWCNAJJDQZJXCI-UHFFFAOYSA-N
XLogP0.68
TPSA126.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3433421) is 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2cccc(O)c2)n2nc(CCCO)nc2N1.
What is the InChIKey of 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KWCNAJJDQZJXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-9-13(15(17)24)14(10-4-2-5-11(23)8-10)21-16(18-9)19-12(20-21)6-3-7-22/h2,4-5,8,14,22-23H,3,6-7H2,1H3,(H2,17,24)(H,18,19,20).
What are the key properties of 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3433421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).