5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H19N5O — CID 3567025

IUPAC5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC3CCCc4ccccc43)nc2n1
InChIInChI=1S/C18H19N5O/c1-11-10-12(2)23-18(19-11)21-16(22-23)17(24)20-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10,15H,5,7,9H2,1-2H3,(H,20,24)
InChIKeyQMTQGWYJNTVHGK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.55
Rot. Bonds2

About 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3567025) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3567025
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC3CCCc4ccccc43)nc2n1
InChIInChI=1S/C18H19N5O/c1-11-10-12(2)23-18(19-11)21-16(22-23)17(24)20-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10,15H,5,7,9H2,1-2H3,(H,20,24)
InChIKeyQMTQGWYJNTVHGK-UHFFFAOYSA-N
XLogP2.55
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N',N'-dimethyl-N-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
CID 1970320
N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2570751
7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3906266
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CID 6619965
5,7-dimethyl-N'-[(E)-(2-methylphenyl)methylidene][1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 6864342
N-(tert-butyl)-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1207992
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CID 16008453
N-(2-Phenylethyl)-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 16012512
5-(3-aminopiperidin-1-yl)-4-but-2-ynyl-N-[(3-methylisoquinolin-1-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 11567905
N-(6-fluorotetralin-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51348003
5-methyl-N-tetralin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51349274
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51349278

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 3567025) is 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NC3CCCc4ccccc43)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QMTQGWYJNTVHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-10-12(2)23-18(19-11)21-16(22-23)17(24)20-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10,15H,5,7,9H2,1-2H3,(H,20,24).
What are the key properties of 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3567025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).