3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

C11H16N6O — CID 7584408

IUPAC3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NC[C@@H]3CCCO3)ncnc21
InChIInChI=1S/C11H16N6O/c1-2-17-11-9(15-16-17)10(13-7-14-11)12-6-8-4-3-5-18-8/h7-8H,2-6H2,1H3,(H,12,13,14)/t8-/m0/s1
InChIKeyPFVKLFHMZZEYNP-QMMMGPOBSA-N
MW248.29 g/mol
LogP0.83
Rot. Bonds4

About 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584408) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584408
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NC[C@@H]3CCCO3)ncnc21
InChIInChI=1S/C11H16N6O/c1-2-17-11-9(15-16-17)10(13-7-14-11)12-6-8-4-3-5-18-8/h7-8H,2-6H2,1H3,(H,12,13,14)/t8-/m0/s1
InChIKeyPFVKLFHMZZEYNP-QMMMGPOBSA-N
XLogP0.83
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7424134
3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584373
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 55228553
S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
CID 170721853
1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine
CID 97298341
N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584496
6-(4-methylpiperidin-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22542968

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 7584408) is 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(NC[C@@H]3CCCO3)ncnc21.
What is the InChIKey of 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is PFVKLFHMZZEYNP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-17-11-9(15-16-17)10(13-7-14-11)12-6-8-4-3-5-18-8/h7-8H,2-6H2,1H3,(H,12,13,14)/t8-/m0/s1.
What are the key properties of 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 248.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).