1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride

C12H19ClN4O2 — CID 166599491

IUPAC1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride
SMILESCl.O=c1[nH]nc2n1CC1(CCN(CC3CC3)C1)OC2
InChIInChI=1S/C12H18N4O2.ClH/c17-11-14-13-10-6-18-12(8-16(10)11)3-4-15(7-12)5-9-1-2-9;/h9H,1-8H2,(H,14,17);1H
InChIKeyGUNPDCUOOLLTMI-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.38
Rot. Bonds2

About 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride

1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride (PubChem CID 166599491) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride
PubChem CID166599491
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride
SMILESCl.O=c1[nH]nc2n1CC1(CCN(CC3CC3)C1)OC2
InChIInChI=1S/C12H18N4O2.ClH/c17-11-14-13-10-6-18-12(8-16(10)11)3-4-15(7-12)5-9-1-2-9;/h9H,1-8H2,(H,14,17);1H
InChIKeyGUNPDCUOOLLTMI-UHFFFAOYSA-N
XLogP0.38
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride?
The IUPAC name of 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride (CID 166599491) is 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride.
What is the SMILES notation for 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride?
The canonical SMILES for 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride is Cl.O=c1[nH]nc2n1CC1(CCN(CC3CC3)C1)OC2.
What is the InChIKey of 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride?
The InChIKey is GUNPDCUOOLLTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c17-11-14-13-10-6-18-12(8-16(10)11)3-4-15(7-12)5-9-1-2-9;/h9H,1-8H2,(H,14,17);1H.
What are the key properties of 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride?
1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride is sourced from PubChem (CID 166599491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).