7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C18H23N5O4 — CID 3249951

IUPAC7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESC=C1Nc2nc(CCCO)nn2C(c2cc(OC)ccc2OC)C1C(N)=O
InChIInChI=1S/C18H23N5O4/c1-10-15(17(19)25)16(12-9-11(26-2)6-7-13(12)27-3)23-18(20-10)21-14(22-23)5-4-8-24/h6-7,9,15-16,24H,1,4-5,8H2,2-3H3,(H2,19,25)(H,20,21,22)
InChIKeyIPZNJJHULAYSOS-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.85
Rot. Bonds7

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

7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3249951) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3249951
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESC=C1Nc2nc(CCCO)nn2C(c2cc(OC)ccc2OC)C1C(N)=O
InChIInChI=1S/C18H23N5O4/c1-10-15(17(19)25)16(12-9-11(26-2)6-7-13(12)27-3)23-18(20-10)21-14(22-23)5-4-8-24/h6-7,9,15-16,24H,1,4-5,8H2,2-3H3,(H2,19,25)(H,20,21,22)
InChIKeyIPZNJJHULAYSOS-UHFFFAOYSA-N
XLogP0.85
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 5053660
7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135594334
7-(2,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4142633
(7S)-7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890371
3-[(7S)-7-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
CID 136899122
7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 91897137
7-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4098838
7-(4-bromophenyl)-2-(3-hydroxypropyl)-5-methylidene-N-pyridin-1-ium-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4149445
2-(3-hydroxypropyl)-N-(4-iodophenyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135549025
7-(2,3-dichlorophenyl)-2-(3-hydroxypropyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135770001
7-(4-ethoxyphenyl)-2-(3-hydroxypropyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135437074
2-(3-hydroxypropyl)-N-(4-iodophenyl)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135609108

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3249951) is 7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is C=C1Nc2nc(CCCO)nn2C(c2cc(OC)ccc2OC)C1C(N)=O.
What is the InChIKey of 7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is IPZNJJHULAYSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-10-15(17(19)25)16(12-9-11(26-2)6-7-13(12)27-3)23-18(20-10)21-14(22-23)5-4-8-24/h6-7,9,15-16,24H,1,4-5,8H2,2-3H3,(H2,19,25)(H,20,21,22).
What are the key properties of 7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3249951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).