5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H19N5 — CID 100664223

IUPAC5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@@H]2CCC[C@H]2c2ccccc2)n2ncnc2n1
InChIInChI=1S/C17H19N5/c1-12-10-16(22-17(20-12)18-11-19-22)21-15-9-5-8-14(15)13-6-3-2-4-7-13/h2-4,6-7,10-11,14-15,21H,5,8-9H2,1H3/t14-,15+/m0/s1
InChIKeyXQGJJIZOIJCECT-LSDHHAIUSA-N
MW293.37 g/mol
LogP3.18
Rot. Bonds3

About 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 100664223) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID100664223
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@@H]2CCC[C@H]2c2ccccc2)n2ncnc2n1
InChIInChI=1S/C17H19N5/c1-12-10-16(22-17(20-12)18-11-19-22)21-15-9-5-8-14(15)13-6-3-2-4-7-13/h2-4,6-7,10-11,14-15,21H,5,8-9H2,1H3/t14-,15+/m0/s1
InChIKeyXQGJJIZOIJCECT-LSDHHAIUSA-N
XLogP3.18
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7436049
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271
N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32678340
N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79840007
trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 133495265
5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324638
N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347247
1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 146133919
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
5-methyl-N-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106995974

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 100664223) is 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N[C@@H]2CCC[C@H]2c2ccccc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XQGJJIZOIJCECT-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H19N5/c1-12-10-16(22-17(20-12)18-11-19-22)21-15-9-5-8-14(15)13-6-3-2-4-7-13/h2-4,6-7,10-11,14-15,21H,5,8-9H2,1H3/t14-,15+/m0/s1.
What are the key properties of 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 100664223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).