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

C17H17N5O — CID 2570751

IUPACN-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)CCC4)nc2n1
InChIInChI=1S/C17H17N5O/c1-10-8-11(2)22-17(18-10)20-15(21-22)16(23)19-14-7-6-12-4-3-5-13(12)9-14/h6-9H,3-5H2,1-2H3,(H,19,23)
InChIKeyKUGUAXFJUWRFMQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.48
Rot. Bonds2

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

N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2570751) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2570751
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)CCC4)nc2n1
InChIInChI=1S/C17H17N5O/c1-10-8-11(2)22-17(18-10)20-15(21-22)16(23)19-14-7-6-12-4-3-5-13(12)9-14/h6-9H,3-5H2,1-2H3,(H,19,23)
InChIKeyKUGUAXFJUWRFMQ-UHFFFAOYSA-N
XLogP2.48
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
CID 25138072
5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3567025
7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3906266
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
N-(2,3-Dihydro1H-inden-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227262
N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308127
N-(3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)acetamide
CID 7532415
1-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid indan-5-ylamide
CID 656066
1-(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid indan-5-ylamide
CID 656233
5,7-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 974413
N-(4-{[2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)acetamide
CID 1850463

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2570751) is N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)CCC4)nc2n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KUGUAXFJUWRFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10-8-11(2)22-17(18-10)20-15(21-22)16(23)19-14-7-6-12-4-3-5-13(12)9-14/h6-9H,3-5H2,1-2H3,(H,19,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2570751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).