N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H25N5O — CID 133311799

IUPACN-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NC(C)CCC(C)(C)C)n2ncnc2n1
InChIInChI=1S/C15H25N5O/c1-11(6-7-15(2,3)4)18-13-8-12(9-21-5)19-14-16-10-17-20(13)14/h8,10-11,18H,6-7,9H2,1-5H3
InChIKeyXTPUKMXHDUPBFK-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.90
Rot. Bonds6

About N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133311799) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133311799
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NC(C)CCC(C)(C)C)n2ncnc2n1
InChIInChI=1S/C15H25N5O/c1-11(6-7-15(2,3)4)18-13-8-12(9-21-5)19-14-16-10-17-20(13)14/h8,10-11,18H,6-7,9H2,1-5H3
InChIKeyXTPUKMXHDUPBFK-UHFFFAOYSA-N
XLogP2.90
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
5-(methoxymethyl)-N-(3-methyl-3-phenylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349979
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
CID 95326962
(2S)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
CID 95326963
3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
CID 71996444
N-[1-(2,3-dichlorophenyl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133307818
5-(methoxymethyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295647
1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one
CID 133342238
5-(methoxymethyl)-N-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441
1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133271945

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133311799) is N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NC(C)CCC(C)(C)C)n2ncnc2n1.
What is the InChIKey of N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XTPUKMXHDUPBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(6-7-15(2,3)4)18-13-8-12(9-21-5)19-14-16-10-17-20(13)14/h8,10-11,18H,6-7,9H2,1-5H3.
What are the key properties of N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133311799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).