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

C16H23N5O — CID 133477099

IUPACN-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCCC2=CCCCCC2)n2ncnc2n1
InChIInChI=1S/C16H23N5O/c1-22-11-14-10-15(21-16(20-14)18-12-19-21)17-9-8-13-6-4-2-3-5-7-13/h6,10,12,17H,2-5,7-9,11H2,1H3
InChIKeyCRRGVIJOLFYRQB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.96
Rot. Bonds6

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

N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133477099) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133477099
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCCC2=CCCCCC2)n2ncnc2n1
InChIInChI=1S/C16H23N5O/c1-22-11-14-10-15(21-16(20-14)18-12-19-21)17-9-8-13-6-4-2-3-5-7-13/h6,10,12,17H,2-5,7-9,11H2,1H3
InChIKeyCRRGVIJOLFYRQB-UHFFFAOYSA-N
XLogP2.96
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 60701805
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
N-[2-(2,4-difluorophenyl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133302351
2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133324043
N-[2-(3,4-difluorophenoxy)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133291787
N-[2-(2,4-difluorophenoxy)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133291686
2-[1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclobutyl]ethanol
CID 133376094
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133399685
4-bromo-N-[2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]benzamide
CID 133270227
5-(methoxymethyl)-N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99104311
N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311799

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133477099) is N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCCC2=CCCCCC2)n2ncnc2n1.
What is the InChIKey of N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CRRGVIJOLFYRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-22-11-14-10-15(21-16(20-14)18-12-19-21)17-9-8-13-6-4-2-3-5-7-13/h6,10,12,17H,2-5,7-9,11H2,1H3.
What are the key properties of N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 301.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohepten-1-yl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133477099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).