7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H15N5O2 — CID 66282959

IUPAC7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCC(CO)Nc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H15N5O2/c1-3-7(5-16)12-8-4-9-13-14-10(17)15(9)6(2)11-8/h4,7,12,16H,3,5H2,1-2H3,(H,14,17)
InChIKeyFIXMEEVOBQFAAB-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.09
Rot. Bonds4

About 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282959) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282959
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCC(CO)Nc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H15N5O2/c1-3-7(5-16)12-8-4-9-13-14-10(17)15(9)6(2)11-8/h4,7,12,16H,3,5H2,1-2H3,(H,14,17)
InChIKeyFIXMEEVOBQFAAB-UHFFFAOYSA-N
XLogP-0.09
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282959) is 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCC(CO)Nc1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is FIXMEEVOBQFAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3-7(5-16)12-8-4-9-13-14-10(17)15(9)6(2)11-8/h4,7,12,16H,3,5H2,1-2H3,(H,14,17).
What are the key properties of 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).