(3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one

C10H11N5O2 — CID 164640450

IUPAC(3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one
SMILESCn1nccc1-c1cn([C@H]2CCOC2=O)nn1
InChIInChI=1S/C10H11N5O2/c1-14-8(2-4-11-14)7-6-15(13-12-7)9-3-5-17-10(9)16/h2,4,6,9H,3,5H2,1H3/t9-/m0/s1
InChIKeyLDQOKMYXRHZECI-VIFPVBQESA-N
MW233.23 g/mol
LogP0.17
Rot. Bonds2

About (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one

(3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one (PubChem CID 164640450) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one
PubChem CID164640450
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name(3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one
SMILESCn1nccc1-c1cn([C@H]2CCOC2=O)nn1
InChIInChI=1S/C10H11N5O2/c1-14-8(2-4-11-14)7-6-15(13-12-7)9-3-5-17-10(9)16/h2,4,6,9H,3,5H2,1H3/t9-/m0/s1
InChIKeyLDQOKMYXRHZECI-VIFPVBQESA-N
XLogP0.17
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one?
The IUPAC name of (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one (CID 164640450) is (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one?
The canonical SMILES for (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one is Cn1nccc1-c1cn([C@H]2CCOC2=O)nn1.
What is the InChIKey of (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one?
The InChIKey is LDQOKMYXRHZECI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11N5O2/c1-14-8(2-4-11-14)7-6-15(13-12-7)9-3-5-17-10(9)16/h2,4,6,9H,3,5H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one?
(3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one has a molecular weight of 233.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one is sourced from PubChem (CID 164640450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).