N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide

C18H21N5O — CID 110300405

IUPACN,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCCCN(CCC)C(=O)c1ccc(-c2nnc3ncccn23)cc1
InChIInChI=1S/C18H21N5O/c1-3-11-22(12-4-2)17(24)15-8-6-14(7-9-15)16-20-21-18-19-10-5-13-23(16)18/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyACWQSAPZWIKIQS-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.05
Rot. Bonds6

About N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide

N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (PubChem CID 110300405) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound NameN,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
PubChem CID110300405
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCCCN(CCC)C(=O)c1ccc(-c2nnc3ncccn23)cc1
InChIInChI=1S/C18H21N5O/c1-3-11-22(12-4-2)17(24)15-8-6-14(7-9-15)16-20-21-18-19-10-5-13-23(16)18/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyACWQSAPZWIKIQS-UHFFFAOYSA-N
XLogP3.05
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300483
N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300429
N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300415
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
N-(5-acetyl-2-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110618449
N-(2-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300467
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 43628629
N-ethyl-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 166191819
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
N-[[(5S)-2-oxo-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]propanethioamide
CID 54586448
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The IUPAC name of N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (CID 110300405) is N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is CCCN(CCC)C(=O)c1ccc(-c2nnc3ncccn23)cc1.
What is the InChIKey of N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The InChIKey is ACWQSAPZWIKIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-11-22(12-4-2)17(24)15-8-6-14(7-9-15)16-20-21-18-19-10-5-13-23(16)18/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 110300405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).