5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H21N5O2 — CID 62016799

IUPAC5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)C2CCCCC2)nc2nc[nH]n12
InChIInChI=1S/C14H21N5O2/c20-7-6-18(12-4-2-1-3-5-12)9-11-8-13(21)19-14(17-11)15-10-16-19/h8,10,12,20H,1-7,9H2,(H,15,16,17)
InChIKeyLNWIBKDCSCRWCS-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.54
Rot. Bonds5

About 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62016799) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62016799
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)C2CCCCC2)nc2nc[nH]n12
InChIInChI=1S/C14H21N5O2/c20-7-6-18(12-4-2-1-3-5-12)9-11-8-13(21)19-14(17-11)15-10-16-19/h8,10,12,20H,1-7,9H2,(H,15,16,17)
InChIKeyLNWIBKDCSCRWCS-UHFFFAOYSA-N
XLogP0.54
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62016799) is 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN(CCO)C2CCCCC2)nc2nc[nH]n12.
What is the InChIKey of 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LNWIBKDCSCRWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-7-6-18(12-4-2-1-3-5-12)9-11-8-13(21)19-14(17-11)15-10-16-19/h8,10,12,20H,1-7,9H2,(H,15,16,17).
What are the key properties of 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 291.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62016799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).