N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide

C19H23N5O4 — CID 139734102

IUPACN-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide
SMILESCCCCc1cc(NC(=O)c2ccc(OC)c(OC)c2OC)n2ncnc2n1
InChIInChI=1S/C19H23N5O4/c1-5-6-7-12-10-15(24-19(22-12)20-11-21-24)23-18(25)13-8-9-14(26-2)17(28-4)16(13)27-3/h8-11H,5-7H2,1-4H3,(H,23,25)
InChIKeyGXMXPLCRMOSXTI-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.74
Rot. Bonds8

About N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide

N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide (PubChem CID 139734102) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide
PubChem CID139734102
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide
SMILESCCCCc1cc(NC(=O)c2ccc(OC)c(OC)c2OC)n2ncnc2n1
InChIInChI=1S/C19H23N5O4/c1-5-6-7-12-10-15(24-19(22-12)20-11-21-24)23-18(25)13-8-9-14(26-2)17(28-4)16(13)27-3/h8-11H,5-7H2,1-4H3,(H,23,25)
InChIKeyGXMXPLCRMOSXTI-UHFFFAOYSA-N
XLogP2.74
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
2-methoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46249747
N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141209103
N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433978
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46379996
2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60506261
N-(2,6-dichlorophenyl)-2,3,4-trimethoxybenzamide
CID 2347602
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133271384
1-(6-acetyl-2,3-dimethoxyphenoxy)hexan-2-one
CID 158404898

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide (CID 139734102) is N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide is CCCCc1cc(NC(=O)c2ccc(OC)c(OC)c2OC)n2ncnc2n1.
What is the InChIKey of N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide?
The InChIKey is GXMXPLCRMOSXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-5-6-7-12-10-15(24-19(22-12)20-11-21-24)23-18(25)13-8-9-14(26-2)17(28-4)16(13)27-3/h8-11H,5-7H2,1-4H3,(H,23,25).
What are the key properties of N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide?
N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide has a molecular weight of 385.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 139734102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).