3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

C16H25N5O2 — CID 71996444

IUPAC3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESCOCc1cc(NC(CCO)C2CCCCC2)n2ncnc2n1
InChIInChI=1S/C16H25N5O2/c1-23-10-13-9-15(21-16(19-13)17-11-18-21)20-14(7-8-22)12-5-3-2-4-6-12/h9,11-12,14,20,22H,2-8,10H2,1H3
InChIKeyHIEUVXNJTUGUQO-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.01
Rot. Bonds7

About 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (PubChem CID 71996444) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
PubChem CID71996444
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESCOCc1cc(NC(CCO)C2CCCCC2)n2ncnc2n1
InChIInChI=1S/C16H25N5O2/c1-23-10-13-9-15(21-16(19-13)17-11-18-21)20-14(7-8-22)12-5-3-2-4-6-12/h9,11-12,14,20,22H,2-8,10H2,1H3
InChIKeyHIEUVXNJTUGUQO-UHFFFAOYSA-N
XLogP2.01
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The IUPAC name of 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (CID 71996444) is 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The canonical SMILES for 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is COCc1cc(NC(CCO)C2CCCCC2)n2ncnc2n1.
What is the InChIKey of 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The InChIKey is HIEUVXNJTUGUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-23-10-13-9-15(21-16(19-13)17-11-18-21)20-14(7-8-22)12-5-3-2-4-6-12/h9,11-12,14,20,22H,2-8,10H2,1H3.
What are the key properties of 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol has a molecular weight of 319.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is sourced from PubChem (CID 71996444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).