7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H20N6O — CID 51275569

IUPAC7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCCCN(C)c3ccccc3)nn12
InChIInChI=1S/C17H20N6O/c1-13-9-11-19-17-20-15(21-23(13)17)16(24)18-10-6-12-22(2)14-7-4-3-5-8-14/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,18,24)
InChIKeyHDOVFNLNHLCJSF-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.69
Rot. Bonds6

About 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 51275569) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID51275569
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCCCN(C)c3ccccc3)nn12
InChIInChI=1S/C17H20N6O/c1-13-9-11-19-17-20-15(21-23(13)17)16(24)18-10-6-12-22(2)14-7-4-3-5-8-14/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,18,24)
InChIKeyHDOVFNLNHLCJSF-UHFFFAOYSA-N
XLogP1.69
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methyl-N-[2-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190009
N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2476813
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293
N-[2-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26516337
methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
CID 43409090
6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 37315939
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
7-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115699548
7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51185265
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2109632
N-benzyl-N-[(2R)-butan-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51515411

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 51275569) is 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NCCCN(C)c3ccccc3)nn12.
What is the InChIKey of 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HDOVFNLNHLCJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-9-11-19-17-20-15(21-23(13)17)16(24)18-10-6-12-22(2)14-7-4-3-5-8-14/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,18,24).
What are the key properties of 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 51275569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).