2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

C18H20N6O — CID 51982400

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C18H20N6O/c1-10-14(11(2)24-18(20-10)22-17(19)23-24)9-16(25)21-15-8-7-12-5-3-4-6-13(12)15/h3-6,15H,7-9H2,1-2H3,(H2,19,23)(H,21,25)/t15-/m0/s1
InChIKeyADZBFCBNRZJAFZ-HNNXBMFYSA-N
MW336.40 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 51982400) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID51982400
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C18H20N6O/c1-10-14(11(2)24-18(20-10)22-17(19)23-24)9-16(25)21-15-8-7-12-5-3-4-6-13(12)15/h3-6,15H,7-9H2,1-2H3,(H2,19,23)(H,21,25)/t15-/m0/s1
InChIKeyADZBFCBNRZJAFZ-HNNXBMFYSA-N
XLogP1.67
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 42924290
N-[3-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55585848
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 24551090
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 55458064
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 51644301
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
CID 47091745
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide
CID 141295964
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 47024255
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17415546
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone
CID 24544566
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 55546322

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 51982400) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is ADZBFCBNRZJAFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-10-14(11(2)24-18(20-10)22-17(19)23-24)9-16(25)21-15-8-7-12-5-3-4-6-13(12)15/h3-6,15H,7-9H2,1-2H3,(H2,19,23)(H,21,25)/t15-/m0/s1.
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 51982400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).