7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C13H19N5O2 — CID 66282345

IUPAC7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N(CCO)C3CCCCC3)ncn12
InChIInChI=1S/C13H19N5O2/c19-7-6-17(10-4-2-1-3-5-10)11-8-12-15-16-13(20)18(12)9-14-11/h8-10,19H,1-7H2,(H,16,20)
InChIKeyFWYOBDUBSTVYBN-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.55
Rot. Bonds4

About 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282345) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282345
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N(CCO)C3CCCCC3)ncn12
InChIInChI=1S/C13H19N5O2/c19-7-6-17(10-4-2-1-3-5-10)11-8-12-15-16-13(20)18(12)9-14-11/h8-10,19H,1-7H2,(H,16,20)
InChIKeyFWYOBDUBSTVYBN-UHFFFAOYSA-N
XLogP0.55
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282345) is 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(N(CCO)C3CCCCC3)ncn12.
What is the InChIKey of 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is FWYOBDUBSTVYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-7-6-17(10-4-2-1-3-5-10)11-8-12-15-16-13(20)18(12)9-14-11/h8-10,19H,1-7H2,(H,16,20).
What are the key properties of 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 277.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).