3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine

C17H20N6O — CID 139295533

IUPAC3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2c1nnn2C1CCCC(COc2ccccc2)C1
InChIInChI=1S/C17H20N6O/c18-16-15-17(20-11-19-16)23(22-21-15)13-6-4-5-12(9-13)10-24-14-7-2-1-3-8-14/h1-3,7-8,11-13H,4-6,9-10H2,(H2,18,19,20)
InChIKeyNWVXSSJVQXRRGB-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.61
Rot. Bonds4

About 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine

3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 139295533) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID139295533
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2c1nnn2C1CCCC(COc2ccccc2)C1
InChIInChI=1S/C17H20N6O/c18-16-15-17(20-11-19-16)23(22-21-15)13-6-4-5-12(9-13)10-24-14-7-2-1-3-8-14/h1-3,7-8,11-13H,4-6,9-10H2,(H2,18,19,20)
InChIKeyNWVXSSJVQXRRGB-UHFFFAOYSA-N
XLogP2.61
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(phenylmethoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
CID 139295787
3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 139296107
N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
CID 138684301
3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 138684267
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
CID 90792997
cyclohexylmethoxybenzene
CID 14399287
3-(phenoxymethyl)cyclopentan-1-amine
CID 83618605
2-[(1R,3R)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]acetic acid
CID 154996492
7-chloro-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]triazolo[4,5-d]pyrimidine
CID 138684321
3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 146204459
7-cyclobutyl-6-iodo-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167079933
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932

Frequently Asked Questions

What is the IUPAC name of 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine (CID 139295533) is 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine is Nc1ncnc2c1nnn2C1CCCC(COc2ccccc2)C1.
What is the InChIKey of 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is NWVXSSJVQXRRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c18-16-15-17(20-11-19-16)23(22-21-15)13-6-4-5-12(9-13)10-24-14-7-2-1-3-8-14/h1-3,7-8,11-13H,4-6,9-10H2,(H2,18,19,20).
What are the key properties of 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine?
3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 324.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 139295533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).